H. Weinstein

发表

On the use of the transmembrane domain of bacteriorhodopsin as a template for modeling the three-dimensional structure of guanine nucleotide-binding regulatory protein-coupled receptors.

L. Pardo, J. Ballesteros, R. Osman, 1992, Proceedings of the National Academy of Sciences of the United States of America.

Molecular determinants for recognition of triazole and tetrazole analogs of histamine at H2-receptors.

R. Osman, H. Weinstein, A. P. Mazurek, 1987, Molecular pharmacology.

Tautomerism and the receptor action of histamine: a mechanistic model.

H. Weinstein, D. Chou, C. L. Johnson, 1976, Molecular pharmacology.

[19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors

J. Ballesteros, H. Weinstein, 1995 .

A cluster of aromatic residues in the sixth membrane-spanning segment of the dopamine D2 receptor is accessible in the binding-site crevice.

J. Ballesteros, H. Weinstein, J. Javitch, 1998, Biochemistry.

Modeling multi-component protein-DNA complexes: the role of bending and dimerization in the complex of p53 dimers with DNA.

H Weinstein, R Lavery, R. Lavery, 2001, Protein engineering.

The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems.

Michael V. LeVine, H. Weinstein, M. Cuendet, 2016, Journal of Chemical Theory and Computation.

Computational approaches to detect allosteric pathways in transmembrane molecular machines.

Harel Weinstein, Lei Shi, Sebastian Stolzenberg, 2016, Biochimica et biophysica acta.

Allosteric Mechanisms of Molecular Machines at the Membrane: Transport by Sodium-Coupled Symporters.

Michael V. LeVine, H. Weinstein, M. Cuendet, 2016, Chemical reviews.

The Allostery Landscape: Quantifying Thermodynamic Couplings in Biomolecular Systems

Harel Weinstein, Michel A. Cuendet, Michael V. LeVine, 2016, Journal of Chemical Theory and Computation.

Does TATA matter? A structural exploration of the selectivity determinants in its complexes with TATA box-binding protein.

H Weinstein, L. Pardo, H. Weinstein, 1997, Biophysical journal.

Structural Basis of Dopamine Receptor Activation

Spencer S. Ericksen, H. Weinstein, I. Moreira, 2010 .

Allosteric communication between protomers of dopamine Class A GPCR dimers modulates activation

Irina S. Moreira, Jonathan A. Javitch, Harel Weinstein, 2009, Nature chemical biology.

The interaction of calcium ions with specific residues in the SARS-CoV fusion peptide and the regulation of viral infectivity

H. Weinstein, G. Khelashvili, G. Whittaker, 2022 .

Functional role of the spatial proximity of Asp114(2.50) in TMH 2 and Asn332(7.49) in TMH 7 of the μ opioid receptor

H Weinstein, H. Weinstein, W. Xu, 1999, FEBS letters.

Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homolog

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2011, Nature.

PIP2 regulates psychostimulant behaviors through its interaction with a membrane protein

H. Weinstein, H. Sitte, J. Javitch, 2014, Nature chemical biology.

Toward realistic modeling of dynamic processes in cell signaling: quantification of macromolecular crowding effects.

Harel Weinstein, H. Weinstein, Jian Sun, 2007, The Journal of chemical physics.

Mutations affecting the oligomerization interface of G-protein-coupled receptors revealed by a novel de novo protein design framework.

Martin S. Taylor, H. K. Fung, C. Floudas, 2008, Biophysical journal.

Identification of a small-molecule inhibitor of the PICK1 PDZ domain that inhibits hippocampal LTP and LTD

Harel Weinstein, Thijs Beuming, Irina S Moreira, 2009, Proceedings of the National Academy of Sciences.

A pincer-like configuration of TM2 in the human dopamine transporter is responsible for indirect effects on cocaine binding

H. Weinstein, Lei Shi, J. Javitch, 2005, Neuropharmacology.

PDZ binding to the BAR domain of PICK1 is elucidated by coarse-grained molecular dynamics.

A. Liwo, H. Scheraga, H. Weinstein, 2011, Journal of molecular biology.

A Machine Learning Approach for the Discovery of Ligand-Specific Functional Mechanisms of GPCRs

H. Weinstein, G. Morra, G. Khelashvili, 2019, Molecules.

The binding sites for cocaine and dopamine in the dopamine transporter overlap

H. Weinstein, Lei Shi, J. Javitch, 2008, Nature Neuroscience.

Prokink: a protocol for numerical evaluation of helix distortions by proline.

H Weinstein, B B Braunheim, H. Weinstein, 2000, Protein engineering.

Hinges, swivels and switches: the role of prolines in signalling via transmembrane alpha-helices.

H. Weinstein, M. Sansom, 2000, Trends in pharmacological sciences.

How structural elements added by evolution from bacterial transporters to human SLC6 homologs have enabled new functional properties

Asghar M. Razavi, H. Weinstein, G. Khelashvili, 2018 .

How structural elements evolving from bacterial to human SLC6 transporters enabled new functional properties

George Khelashvili, Harel Weinstein, Asghar M. Razavi, 2018, BMC biology.

How structural elements added in evolution from bacterial transporters serve human SLC6 homologs

Asghar M. Razavi, H. Weinstein, G. Khelashvili, 2017, bioRxiv.

Databases and ontologies PDZBase : a protein – protein interaction database for PDZ-domains

H. Weinstein, M. Niv, P. Mukherjee, 2005 .

Membrane Localization is Critical for Activation of the PICK1 BAR Domain

Harel Weinstein, Masha Y Niv, Dimitrios Stamou, 2008, Traffic.

Prediction of heterodimerization interfaces of G-protein coupled receptors with a new subtractive correlated mutation method.

Marta Filizola, Harel Weinstein, Osvaldo Olmea, 2002, Protein engineering.

Molecular dynamics simulations of peptides and proteins with a continuum electrostatic model based on screened Coulomb potentials

Sergio A Hassan, Harel Weinstein, Daqun Zhang, 2003, Proteins.

The study of G‐protein coupled receptor oligomerization with computational modeling and bioinformatics

Marta Filizola, Harel Weinstein, H. Weinstein, 2005, The FEBS journal.

Functional Mechanisms of G Protein-Coupled Receptors in a Structural Context

H. Weinstein, F. Campagne, L. Skrabanek, 2004 .

Parameters and mechanisms of calcium binding to peptides and proteins

H. Weinstein, J. Kushick, K. Hori, 1987 .

Studies of sub-cellular distribution of γ-aminobutyric acid and glutamic decarboxylase in mouse brain

H. Weinstein, E. Roberts, Kakefuda Tsuyoshi, 1963 .

Uptake of γ-aminobutyric acid by mitochondrial and synaptosomal fractions from mouse brain

H. Weinstein, K. Kuriyama, E. Roberts, 1969 .

Topology of Type II REases revisited; structural classes and the common conserved core

Adam Liwo, Harel Weinstein, Harold A. Scheraga, 2007, Nucleic acids research.

X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2020, Nature Communications.

The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2019, bioRxiv.

The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2019, Proceedings of the National Academy of Sciences.

A Markov State-based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

George Khelashvili, Harel Weinstein, Asghar M. Razavi, 2017, Scientific Reports.

A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2018, Nature Communications.

Conformational Dynamics on the Extracellular Side of LeuT Controlled by Na+ and K+ Ions and the Protonation State of Glu290*

H. Weinstein, Lei Shi, J. Javitch, 2016, The Journal of Biological Chemistry.

Functional mechanisms of neurotransmitter transporters regulated by lipid-protein interactions of their terminal loops.

H. Weinstein, G. Khelashvili, 2015, Biochimica et biophysica acta.

Computational modeling of the N‐terminus of the human dopamine transporter and its interaction with PIP2‐containing membranes

H. Weinstein, Lei Shi, G. Khelashvili, 2015, Proteins.

Conformational dynamics of ligand-dependent alternating access in LeuT

Benoît Roux, Harel Weinstein, Matthias Quick, 2014, Nature Structural &Molecular Biology.

Binding of an octylglucoside detergent molecule in the second substrate (S2) site of LeuT establishes an inhibitor-bound conformation

Jonathan A. Javitch, Harel Weinstein, Poul Nissen, 2009, Proceedings of the National Academy of Sciences.

The mechanism of a neurotransmitter:sodium symporter--inward release of Na+ and substrate is triggered by substrate in a second binding site.

Harel Weinstein, Lei Shi, Matthias Quick, 2008, Molecular cell.

A Comprehensive Structure-Based Alignment of Prokaryotic and Eukaryotic Neurotransmitter/Na+ Symporters (NSS) Aids in the Use of the LeuT Structure to Probe NSS Structure and Function

Harel Weinstein, Thijs Beuming, Jonathan A Javitch, 2006, Molecular Pharmacology.

State-dependent Conformations of the Translocation Pathway in the Tyrosine Transporter Tyt1, a Novel Neurotransmitter:Sodium Symporter from Fusobacterium nucleatum*

Harel Weinstein, Lei Shi, Thijs Beuming, 2006, Journal of Biological Chemistry.

Structural Intermediates in a Model of the Substrate Translocation Path of the Bacterial Glutamate Transporter Homologue GltPh

H. Weinstein, Sebastian Stolzenberg, G. Khelashvili, 2012, The journal of physical chemistry. B.

Crooked tail (Cd) model of human folate-responsive neural tube defects is mutated in Wnt coreceptor lipoprotein receptor-related protein 6.

M. Ross, H. Weinstein, F. Campagne, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Structural And Dynamic Effects Of Cholesterol At Preferred Sites Of Interaction With Rhodopsin Identified From Microsecond Length Molecular Dynamics Simulations

H. Weinstein, M. Pitman, S. Feller, 2009 .

Structure of Dimeric and Tetrameric Complexes of the BAR Domain Protein PICK1 Determined by Small-Angle X-Ray Scattering.

M. L. Karlsen, H. Weinstein, B. Vestergaard, 2015, Structure.

Structure of Dimeric and T etrameric Complexes of the BAR Domain Protein PICK 1 Determined by Small-Angle X-Ray Scattering Graphical

M. L. Karlsen, H. Weinstein, B. Vestergaard, 2015 .

Modeling membrane deformations and lipid demixing upon protein-membrane interaction: the BAR dimer adsorption.

George Khelashvili, Harel Weinstein, Daniel Harries, 2009, Biophysical journal.

9.12 Interactions of the Cell Membrane with Integral Proteins

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2012 .

Phosphatidylinositol 4,5-Biphosphate (PIP2) Lipids Regulate the Phosphorylation of Syntaxin N-Terminus by Modulating Both Its Position and Local Structure

H. Weinstein, A. Galli, G. Khelashvili, 2012, Biochemistry.

Structural dynamics of calmodulin and troponin C.

H. Weinstein, E. Mehler, J. Pascual-Ahuir, 1991, Protein engineering.

An equilibrium constant pH molecular dynamics method for accurate prediction of pH-dependence in protein systems: Theory and application

H. Weinstein, Derek M. Shore, E. Kots, 2020, bioRxiv.

Evolutionary Divergence of the C-terminal Domain of Complexin Accounts for Functional Disparities between Vertebrate and Invertebrate Complexins

H. Weinstein, J. Dittman, D. Eliezer, 2017, Front. Mol. Neurosci..

Ca2+-dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide

H. Weinstein, G. Khelashvili, A. Plante, 2020, bioRxiv.

Progressive DNA bending is made possible by gradual changes in the torsion angle of the glycosyl bond.

L. Pardo, H. Weinstein, N. Pastor, 1998, Biophysical journal.

Structural probing of a microdomain in the dopamine transporter by engineering of artificial Zn2+ binding sites.

H Weinstein, J. Ballesteros, H. Weinstein, 2000, Biochemistry.

Combined in vitro and in silico approaches to the assessment of stimulant properties of novel psychoactive substances – The case of the benzofuran 5-MAPB

H. Weinstein, G. Khelashvili, M. Sahai, 2017, Progress in Neuro-Psychopharmacology and Biological Psychiatry.

Identification of GATC‐ and CCGG‐recognizing Type II REases and their putative specificity‐determining positions using Scan2S—A novel motif scan algorithm with optional secondary structure constraints

H. Scheraga, H. Weinstein, R. Roberts, 2008, Proteins.

Phosphatidylinositol phosphates modulate interactions between the StarD4 sterol trafficking protein and lipid membranes

H. Weinstein, F. Maxfield, G. Khelashvili, 2022, The Journal of biological chemistry.

The FDA-approved drug Alectinib compromises SARS-CoV-2 nucleocapsid phosphorylation and inhibits viral infection in vitro

Jared L. Johnson, G. Getz, J. Blenis, 2020 .

Some relations between electronic distribution and electronegativity

H. Weinstein, P. Politzer, 1979 .

Effects of Tobacco Smoke on Gene Expression and Cellular Pathways in a Cellular Model of Oral Leukoplakia

H. Weinstein, P. Mukherjee, A. Kacker, 2008, Cancer Prevention Research.

Structural mimicry of proline kinks: tertiary packing interactions support local structural distortions.

H. Weinstein, M. Ceruso, 2002, Journal of molecular biology.

Formulation of molecular forces and their analytical calculation

H. Weinstein, R. Pauncz, S. Srebrenik, 1974 .

Psychotomimetics as anticholinergic agents. I. 1-Cyclohexylpiperidine derivatives: anticholinesterase activity and antagonistic activity to acetylcholine.

H. Weinstein, S. Cohen, S. Maayani, 1974, Biochemical pharmacology.

The allosteric mechanism leading to an open-groove lipid conductive state of the TMEM16F scramblase

Michael V. LeVine, H. Weinstein, G. Khelashvili, 2022, bioRxiv.

Missense dopamine transporter mutations associate with adult parkinsonism and ADHD.

Thorvald F. Andreassen, H. Weinstein, H. Sitte, 2014, The Journal of clinical investigation.

Gramicidin increases lipid flip-flop in symmetric and asymmetric lipid vesicles

H. Weinstein, G. Feigenson, O. Andersen, 2018, bioRxiv.

Protein and Lipid Interactions Driving Molecular Mechanisms of in meso Crystallization

H. Weinstein, M. Caffrey, G. Morra, 2014, Journal of the American Chemical Society.

A GIPC1-Palmitate Switch Modulates Dopamine Drd3 Receptor Trafficking and Signaling

H. Weinstein, P. Sokoloff, Ozge Sensoy, 2016, Molecular and Cellular Biology.

Studies on histamine H2 receptors coupled to cardiac adenylate cyclase. Blockade by H2 and H1 receptor antagonists.

H. Weinstein, C. L. Johnson, J. Green, 1979, Molecular pharmacology.

Substrate‐selective protein ectodomain shedding by ADAM17 and iRhom2 depends on their juxtamembrane and transmembrane domains

H. Weinstein, C. Blobel, T. Mak, 2020, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.

Multiple interactions of the Asp(2.61(98)) side chain of the gonadotropin-releasing hormone receptor contribute differentially to ligand interaction.

K. Konvička, H. Weinstein, S. Sealfon, 2000, Biochemistry.

Markov State-Based Quantitative Kinetic Model of Sodium Release from the Dopamine Transporter

Asghar M. Razavi, H. Weinstein, George Khelashvil, 2017 .

Structural motifs as functional microdomains in G-protein-coupled receptors: Energetic considerations in the mechanism of activation of the serotonin 5-HT2A receptor by disruption of the ionic lock of the arginine cage*

J. Ballesteros, H. Weinstein, S. Sealfon, 2002 .

The solvent effect in enzyme—substrate interactions: Models of carboxypeptidase

H. Weinstein, E. Clementi, C. Venanzi, 2009 .

A finite expansion method for the calculation and interpretation of molecular electrostatic potentials

H. Weinstein, J. Rabinowitz, K. Namboodiri, 1986 .

The correlation between multidomain enzymes and multiple activation mechanisms--the case of phospholipase Cβ and its membrane interactions.

H. Weinstein, S. Scarlata, 2011, Biochimica et biophysica acta.

Differences in conformational properties of the second intracellular loop in 5HT2C receptors modified by RNA editing can account for the silencing of constitutive activity

H. Weinstein, S. Hassan, I. Visiers, 2000 .

Structure and Activity of Membrane Receptors: Modeling and Computational Simulation of Ligand Recognition in a Three-Dimensional Model of the 5-Hydroxytryptamine(1A) Receptor.

L. Pardo, H. Weinstein, M. Duñach, 1996, Journal of biomedical science.

MODELS FOR ACTIVE SITES OF METALLOENZYMES. II. INTERACTIONS WITH A MODEL SUBSTRATE *

R. Osman, H. Weinstein, S. Topiol, 1981, Annals of the New York Academy of Sciences.

On the Relation Between Charge Redistribution and Intermolecular Forces in Models for Molecular Interactions in Biology

R. Osman, H. Weinstein, S. Topiol, 1981 .

Theoretical studies of molecular complexes: a probe into basis set and correlation effects

R. Osman, H. Weinstein, S. Topiol, 1980 .

Electron charge redistribution following electrophilic attack on heterocycles: nitrogen as a charge transducer

H. Weinstein, D. Chou, 1978 .

Host protein kinases required for SARS-CoV-2 nucleocapsid phosphorylation and viral replication

Jared L. Johnson, O. Elemento, J. Blenis, 2022, Science Signaling.

Dual-Reporter System for Real-Time Monitoring of SARS-CoV-2 Main Protease Activity in Live Cells Enables Identification of an Allosteric Inhibition Path

H. Weinstein, R. Schwartz, Xiaohua Duan, 2022, ACS bio & med chem Au.

An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1.

H. Weinstein, G. Khelashvili, U. Gether, 2018, Cell reports.

Multiplicity Change During Thermal Dissociation

H. Weinstein, I. Schek, R. Pauncz, 1974 .

Constitutive activation of the mu opioid receptor by mutation of D3.49(164), but not D3.32(147): D3.49(164) is critical for stabilization of the inactive form of the receptor and for its expression.

H. Weinstein, P. Huang, J. Li, 2001, Biochemistry.

Probing the structural determinants for the function of intracellular loop 2 in structurally cognate G-protein-coupled receptors.

H. Weinstein, E. Mehler, Jufang Shan, 2010, Biochemistry.

Functional Selectivity and Classical Concepts of Quantitative Pharmacology

Arthur Christopoulos, Jonathan A. Javitch, Bryan L. Roth, 2007, Journal of Pharmacology and Experimental Therapeutics.

One agonist and two receptors mediating the same effect: histamine receptors linked to adenylate cyclase in the brain.

H. Weinstein, J. Green, L. Hough, 1980, Advances in biochemical psychopharmacology.

A CARRIER-MEDIATED TRANSFER MODEL FOR THE ACCUMULATION OF 14-C-GAMMA-AMINOBUTYRIC ACID BY SUBCELLULAR BRAIN PARTICLES.

H. Weinstein, D. Muhleman, E. Roberts, 1965, Biochemical pharmacology.

Agonists induce conformational changes in transmembrane domains III and VI of the β2 adrenoceptor

H Weinstein, P Ghanouni, J. Ballesteros, 1997, The EMBO journal.

Conformational Memories and the Exploration of Biologically Relevant Peptide Conformations: An Illustration for the Gonadotropin-Releasing Hormone

H. Weinstein, F. Guarnieri, 1996 .

A new computational method for membrane compressibility: Bilayer mechanical thickness revisited

Michael V. LeVine, H. Weinstein, G. Khelashvili, 2018, bioRxiv.

How the TATA Box Selects Its Protein Partner

L. Pardo, H. Weinstein, N. Pastor, 1997 .

Comparison of the amino acid residues in the sixth transmembrane domains accessible in the binding-site crevices of mu, delta, and kappa opioid receptors.

H. Weinstein, J. Javitch, W. Xu, 2001, Biochemistry.

Differences in d-[3H]lysergic acid diethylamide binding in mouse cortex and hippocampus in vivo and in vitro revealed by radioautography and rapid filtration studies.

H. Weinstein, B. J. Ebersole, S. Maayani, 1984, The Journal of pharmacology and experimental therapeutics.

Positioning and Stabilization of Dynorphin Peptides in Membrane Bilayers: the Mechanistic Role of Aromatic and Basic Residues Revealed from Comparative MD Simulations

H. Weinstein, R. Sankararamakrishnan, 2002 .

Computational schemes for modeling proton transfer in biological systems: Calculations on the hydrogen bonded complex [CH3OH · H · NH3]+

R. Osman, H. Weinstein, R. Osman, 1985 .

Electron density redistribution in the stabilization of a molecular stacking complex: The nature and correction of basis set superposition errors

R. Osman, H. Weinstein, S. Topiol, 1981 .

EFFECTIVE POTENTIAL METHODS FOR USE IN ELECTRONIC STRUCTURE CALCULATIONS OF LARGE MOLECULES *

R. Osman, H. Weinstein, S. Topiol, 1981 .

Site of action of phencyclidine. IV. Interaction of phencyclidine and its analogues on ionic channels of the electrically excitable membrane and nicotinic receptor: implications for behavioral effects.

H. Weinstein, S. D. Glick, E. Albuquerque, 1982, Molecular pharmacology.

The behavioral effects of phencyclidines may be due to their blockade of potassium channels.

H. Weinstein, S. D. Glick, M. Blaustein, 1981, Proceedings of the National Academy of Sciences of the United States of America.

Mechanistic insights from a refined three-dimensional model of integrin alphaIIbbeta3.

H. Weinstein, B. Coller, S. Hassan, 2004, The Journal of biological chemistry.

The Molecular Basis of Structure-Activity Relationships: Quantum Chemical Recognition Mechanisms in Drug-Receptor Interactions

Harel Weinstein, Roman Osman, R. Osman, 1979 .

Molecular determinants for recognition of phencyclidine derivatives at muscarinic cholinergic receptors

R. Osman, H. Weinstein, S. Maayani, 2009 .

Molecular determinants for binding of methylenedioxytryptamines at 5-HT/LSD receptors

R. Osman, H. Weinstein, P. Reggio, 1981 .

Theoretical models for molecular mechanisms in biological systems: Tryptamine congeners acting on an LSD—Serotonin receptor

R. Osman, H. Weinstein, W. Edwards, 2009 .

Characterization of Drug Reactivity in Cholinergic Systems by Molecular Interaction Potentials

H. Weinstein, S. Maayani, M. Sokolovsky, 1974 .

The effect of substitution on protonation sites: evidence for protonation at N(3) in N(7)-substituted adenine

H. Weinstein, T. Kistenmacher, T. Shigematsu, 1975 .

Molecular determinants of pH sensing in the proton-activated chloride channel

H. Weinstein, Z. Ruan, Wei Lü, 2022, Proceedings of the National Academy of Sciences of the United States of America.

The LeuT-fold neurotransmitter:sodium symporter MhsT has two substrate sites

Ara M. Abramyan, H. Weinstein, Lei Shi, 2018, Proceedings of the National Academy of Sciences.

A Functional Selectivity Mechanism at the Serotonin-2A GPCR Involves Ligand-Dependent Conformations of Intracellular Loop 2

George Khelashvili, Jufang Shan, Harel Weinstein, 2014, Journal of the American Chemical Society.

Ca(2+)-binding and structural dynamics in the functions of calmodulin.

H. Weinstein, E. Mehler, Harel Weinstein, 1994, Annual review of physiology.

Hinges, swivels and switches: the role of prolines in signalling via transmembrane α-helices

Mark S.P. Sansom, Harel Weinstein, H. Weinstein, 2000 .

Towards a quantitative representation of the cell signaling mechanisms of hallucinogens: Measurement and mathematical modeling of 5-HT1A and 5-HT2A receptor-mediated ERK1/2 activation

Harel Weinstein, John A. Schetz, Zeynep H. Gümüş, 2009, Neuropharmacology.

Hallucinogen actions on 5-HT receptors reveal distinct mechanisms of activation and signaling by G protein-coupled receptors

Harel Weinstein, H. Weinstein, 2005, The AAPS Journal.

On the possible use of analytic potentials in the scattered-wave method

H. Weinstein, 2009 .

Reactivity characteristics of large molecules and their biological activity: Indolealkylamines on the LSD/serotonin receptor

Carl L. Johnson, H. Weinstein, D. Chou, 2009 .

Models for molecular mechanisms in drug—receptor interactions. Serotonin and 5-hydroxyindole complexes with imidazolium cation

R. Osman, H. Weinstein, 2009 .

Electrostatic Potentials as Descriptors of Molecular Reactivity: The Basis for Some Successful Predictions of Biological Activity

Harel Weinstein, Roman Osman, Sid Topiol, 1981 .

MOLECULAR DETERMINANTS FOR INTERACTION WITH THE LSD RECEPTOR: BIOLOGICAL STUDIES AND QUANTUM CHEMICAL ANALYSIS

Carl L. Johnson, H. Weinstein, D. Chou, 1978 .

Molecular mechanisms of ligand interaction with the gonadotropin-releasing hormone receptor.

H Weinstein, R P Millar, H. Weinstein, 1997, Endocrine reviews.

Reactivities of acrylic and methacrylic acids in a nucleophilic addition model of their biological activity

R. Osman, H. Weinstein, J. Rabinowitz, 1988 .

Molecular electrostatic potentials-II: Mechanistic aspects of electrophilic interactions of some five-membered heterocycles

H. Weinstein, P. Politzer, 1975 .

Response of the histamine h2-receptor in brain to antidepressant drugs.

H. Weinstein, J. Green, S. Maayani, 1982, Advances in biochemical psychopharmacology.

Antagonism of histamine-activated adenylate cyclase in brain by D-lysergic acid diethylamide.

H. Weinstein, C. L. Johnson, J. Green, 1977, Proceedings of the National Academy of Sciences of the United States of America.

Some definitions of atomic regions in molecules and solids

H. Weinstein, R. Pauncz, S. Srebrenik, 1975 .

Chloride binding site of neurotransmitter sodium symporters

H. Weinstein, Lei Shi, J. Javitch, 2013, Proceedings of the National Academy of Sciences.

Practical considerations in calculations of the proton transfer in a model active site of papain

R. Osman, H. Weinstein, J. P. Dijkman, 1987 .

Brownian dynamics simulations of the reactions of hydrated electrons with components of DNAs and a DNA double‐helix

Chung F. Wong, R. Osman, H. Weinstein, 1997 .

Role of primary and secondary protein structure in neurotransmitter receptor activation mechanisms.

R. Osman, H. Weinstein, G. Mercier, 1988, Protein engineering.

A molecular model for activation of a 5-hydroxytryptamine receptor.

R. Osman, H. Weinstein, S. Topiol, 1987, Molecular pharmacology.

Pharmacological characterization of two 5-hydroxytryptamine receptors coupled to adenylate cyclase in guinea pig hippocampal membranes.

H. Weinstein, J. Green, A. Shenker, 1987, Molecular pharmacology.

A molecular theory of recognition and activation at a 5-HT receptor based on a quantum chemical approach to structure activity relationships.

R. Osman, H. Weinstein, S. Topiol, 1985, Clinical physiology and biochemistry.

QUANTUM CHEMICAL STUDIES ON MOLECULAR DETERMINANTS FOR DRUG ACTION *

H Weinstein, R. Osman, H. Weinstein, 1981, Annals of the New York Academy of Sciences.

Analytical calculation of atomic and molecular electrostatic potentials from the Poisson equation

Harel Weinstein, H. Weinstein, Shalom Srebrenik, 1973 .

A misconception concerning the electronic density distribution of an atom

Harel Weinstein, Peter Politzer, H. Weinstein, 1975 .

Sodium-dependent binding of gamma-aminobutyric acid by morphologically characterized subcellular brain particles.

H. Weinstein, E. Roberts, S. Varon, 1965, Biochemical pharmacology.

Dynamic models of G-protein coupled receptor dimers: indications of asymmetry in the rhodopsin dimer from molecular dynamics simulations in a POPC bilayer

Marta Filizola, Simon X. Wang, Harel Weinstein, 2006, J. Comput. Aided Mol. Des..

Experimental conditions can obscure the second high-affinity site in LeuT

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2011, Nature Structural &Molecular Biology.

Effects of imipramine on the Na+-dependent exchange and retention of gamma-aminobutyric acid by mouse brain subcellular particles.

H. Weinstein, E. Roberts, S. Varon, 1971, Biochemical pharmacology.

Evidence for a Carrier-mediated Transfer Model for the Accumulation of 14 C-γ-Aminobutyric Acid by Brain Particles at Zero Degrees Centigrade

H. Weinstein, E. Roberts, S. Varon, 1967 .

Uptake and metabolism of exogenous gamma-aminobutyric acid by subcellular particles in a sodium-containing medium.

H. Weinstein, E. Roberts, C. Baxter, 1965, Biochemical pharmacology.

EXOGENOUS AND ENDOGENOUS GAMMA-AMINOBUTYRIC ACID OF MOUSE BRAIN PARTICULATES IN A BINDING SYSTEM IN VITRO.

H. Weinstein, E. Roberts, S. Varon, 1964, Biochemical pharmacology.

Some new quantum chemical procedures for the analysis of drug—receptor interactions

H. Weinstein, 2009 .

Determinants of molecular reactivity as criteria for predicting toxicity: problems and approaches.

R. Osman, H. Weinstein, J. Rabinowitz, 1985, Environmental health perspectives.

Theoretical treatment of multiple site reactivity in large molecules

R. Bartlett, H. Weinstein, 1975 .

Quantum Chemical Studies of Morphine-Like Opiate Narcotics: Effect of Polar Group Variations

H. Weinstein, G. Loew, S. Srebrenik, 1974 .

Psychotomimetic drugs as anticholinergic agents. II. Quantum-mechanical study of molecular interaction potentials of 1-cyclohexylpiperidine derivatives with the cholinergic receptor.

H. Weinstein, S. Cohen, S. Maayani, 1973, Molecular pharmacology.

Perturbation treatment of multiple site reactivity. II. Additivity in trimolecular interactions

H. Weinstein, Shih-Yung Chang, 1978 .

Theoretical and experimental studies of drug–receptor interactions: Determinants for recognition of 5‐hydroxytryptamine analogs

R. Osman, H. Weinstein, B. J. Ebersole, 1984 .

Mechanisms of Lipid Scrambling by the G Protein-Coupled Receptor Opsin.

George Khelashvili, Harel Weinstein, Asghar M. Razavi, 2017, Structure.

Structure-activity relationships of a small-molecule inhibitor of the PDZ domain of PICK1.

Irina S. Moreira, Harel Weinstein, S. Brøgger Christensen, 2010, Organic & biomolecular chemistry.

Quantitative modeling of membrane deformations by multihelical membrane proteins: application to G-protein coupled receptors.

George Khelashvili, Jufang Shan, Harel Weinstein, 2011, Biophysical journal.

A theoretical model study of the comparative effectiveness of atropine and scopolamine action in the central nervous system.

H. Weinstein, S. Maayani, M. Sokolovsky, 1977, Journal of Theoretical Biology.

Tas1r3, encoding a new candidate taste receptor, is allelic to the sweet responsiveness locus Sac

H. Weinstein, F. Campagne, Liquan Huang, 2001, Nature Genetics.

Functional role of arginine-11 in the N-terminal helix of skeletal troponin C: combined mutagenesis and molecular dynamics investigation.

H. Weinstein, E. Mehler, H. Su, 1995, Biochemistry.

Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca2+-bound nhTMEM16

George Khelashvili, Harel Weinstein, Xiaolu Cheng, 2019, Nature Communications.

Gating mechanism of the extracellular entry to the lipid pathway in a TMEM16 scramblase

George Khelashvili, Harel Weinstein, H. Weinstein, 2018, Nature Communications.

Interaction with the Membrane Uncovers Essential Differences Between Highly Homologous GPCRs

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2012 .

Ab initio computational modeling of loops in G‐protein‐coupled receptors: Lessons from the crystal structure of rhodopsin

Sergio A Hassan, Sandhya Kortagere, Harel Weinstein, 2006, Proteins.

Key issues in the computational simulation of GPCR function: representation of loop domains

S. A. Hassan, Harel Weinstein, Ernest L. Mehler, 2002, J. Comput. Aided Mol. Des..

A theoretical and experimental study of the semirigid cholinergic agonist 3-acetoxyquinuclidine.

H. Weinstein, S. Cohen, S. Maayani, 1975, Molecular pharmacology.

QUANTUM MECHANICAL ANALYSIS OF ELECTRONIC TRANSITIONS IN SOME CYANINE DYE PHOTOSENSITIZERS

H. Weinstein, R. A. Berg, B. Apfelderfer, 1973 .

On the basis set dependence of reported limitations in predictions from electrostatic potentials

Harel Weinstein, H. Weinstein, W. Daniel Edwards, 1978 .

TIT for TAT: the properties of inosine and adenosine in TATA box DNA.

Alexander D. MacKerell, H. Weinstein, N. Pastor, 1999, Journal of biomolecular structure & dynamics.

Trefoil factor family-1 mutations enhance gastric cancer cell invasion through distinct signaling pathways.

H. Weinstein, S. Itzkowitz, X. Yio, 2006, Gastroenterology.

A Juxtamembrane Mutation in the N Terminus of the Dopamine Transporter Induces Preference for an Inward-Facing Conformation

R. Neubig, H. Weinstein, Lei Shi, 2009, Molecular Pharmacology.

Schematic representation of residue-based protein context-dependent data: an application to transmembrane proteins.

F Campagne, H Weinstein, H. Weinstein, 1999, Journal of molecular graphics & modelling.

Some structure activity relationships of phencyclidine derivatives as anticholinergic agents in vitro and in vivo.

H. Weinstein, S. Maayani, 1979, Progress in clinical and biological research.

PDZBase: a protein?Cprotein interaction database for PDZ-domains

Lucy Skrabanek, Thijs Beuming, Masha Y. Niv, 2005, Bioinform..

The Functional Microdomain in Transmembrane Helices 2 and 7 Regulates Expression, Activation, and Coupling Pathways of the Gonadotropin-releasing Hormone Receptor*

H. Weinstein, S. Sealfon, T. Yuen, 1999, The Journal of Biological Chemistry.

Functional Microdomains in G-protein-coupled Receptors

Robert P. Millar, Harel Weinstein, Stuart C. Sealfon, 1998, The Journal of Biological Chemistry.

Localization atomic force microscopy

H. Weinstein, S. Scheuring, G. Khelashvili, 2021, Nature.

"Specific binding" of 3H-phencyclidine: artifacts of the rapid filtration method.

H. Weinstein, S. Maayani, 1980, Life sciences.

Single-molecule analysis of ligand efficacy in β2AR-G protein activation

Jonathan A. Javitch, Brian K. Kobilka, Harel Weinstein, 2017, Nature.

GPCRmd uncovers the dynamics of the 3D-GPCRome

Toni Giorgino, Gianni De Fabritiis, David E. Gloriam, 2019, bioRxiv.

Signal transduction by a 5-HT2 receptor: a mechanistic hypothesis from molecular dynamics simulations of the three-dimensional model of the receptor complexed to ligands.

H Weinstein, H. Weinstein, D. Zhang, 1993, Journal of medicinal chemistry.

Analysis and refinement of criteria for predicting the structure and relative orientations of transmembranal helical domains.

J. Ballesteros, H. Weinstein, 1992, Biophysical journal.

Structural Instability of a Constitutively Active G Protein-coupled Receptor

Brian K. Kobilka, Harel Weinstein, Roland Seifert, 1997, The Journal of Biological Chemistry.

Oligomerization Domains of G Protein-Coupled Receptors

Jonathan A. Javitch, Marta Filizola, Harel Weinstein, 2005 .

Structural models for dimerization of G-protein coupled receptors: the opioid receptor homodimers.

Marta Filizola, Harel Weinstein, H. Weinstein, 2002, Biopolymers.

A proposed structure for transmembrane segment 7 of G protein-coupled receptors incorporating an asn-Pro/Asp-Pro motif.

K. Konvička, J. Ballesteros, H. Weinstein, 1998, Biophysical journal.

Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice.

J. Ballesteros, H. Weinstein, J. Javitch, 1996, Biochemistry.

Ligand-induced domain motion in the activation mechanism of a G-protein-coupled receptor.

H. Weinstein, D. Zhang, X. Luo, 1994, Protein engineering.

Neurofilament (NF) Assembly; Divergent Characteristics of Human and Rodent NF-L Subunits*

K. Konvička, H. Weinstein, G. Elder, 1998, The Journal of Biological Chemistry.

Crosstalk in G protein-coupled receptors: changes at the transmembrane homodimer interface determine activation.

Marta Filizola, Harel Weinstein, Jonathan A Javitch, 2005, Proceedings of the National Academy of Sciences of the United States of America.

Structure Calculation of Protein Segments Connecting Domains with Defined Secondary Structure: A Simulated Annealing Monte Carlo Combined with Biased Scaled Collective Variables Technique

Harel Weinstein, Ernest L. Mehler, Sergio A. Hassan, 2002 .

Characterization of novel cathepsin K mutations in the pro and mature polypeptide regions causing pycnodysostosis.

H. Weinstein, B. Gelb, D. Rimoin, 1999, The Journal of clinical investigation.

Molecular dynamics simulations predict a tilted orientation for the helical region of dynorphin A(1-17) in dimyristoylphosphatidylcholine bilayers.

H. Weinstein, R. Sankararamakrishnan, Harel Weinstein, 2000, Biophysical journal.

Molecular Determinants for the Complex Binding Specificity of the PDZ Domain in PICK1*

H. Weinstein, M. Niv, Chiung-wen Chang, 2005, Journal of Biological Chemistry.

Protein-DNA interactions in the initiation of transcription: The Role of Flexibility and Dynamics of the TATA Recognition Sequence and the TATA Box Binding Protein

H. Weinstein, N. Pastor, 2001 .

Binding mechanisms of TATA box-binding proteins: DNA kinking is stabilized by specific hydrogen bonds.

H Weinstein, L. Pardo, H. Weinstein, 2000, Biophysical journal.

Selective binding of the TATA box-binding protein to the TATA box-containing promoter: analysis of structural and energetic factors.

L. Pardo, H. Weinstein, N. Pastor, 1998, Biophysical journal.

Monitoring Dynamics of Large Membrane Proteins by 19F Paramagnetic Longitudinal Relaxation: Domain Movement in a Glutamate Transporter Homolog

Asghar M. Razavi, H. Weinstein, D. Eliezer, 2019, bioRxiv.

Structure and dynamics of calmodulin in solution.

K Schulten, H Weinstein, W Wriggers, 1998, Biophysical journal.

Structure-function relations in radiation damaged DNA.

R. Osman, H. Weinstein, K. Miąskiewicz, 1991, Basic life sciences.

Spontaneous Inward Opening of the Dopamine Transporter Is Triggered by PIP2-Regulated Dynamics of the N-Terminus

Gianni De Fabritiis, George Khelashvili, Harel Weinstein, 2015, ACS chemical neuroscience.

Quantitative Information Management for the Biochemical Computation of Cellular Networks

Ravi Iyengar, Harel Weinstein, Fabien Campagne, 2004, Science's STKE.

On the structure and activity of membrane receptors: A computational simulation of ligand‐triggered activation in a model 5‐HT1A receptor

L. Pardo, H. Weinstein, 1997 .

Structural Specificity in the Engineering of Biological Function: Insights from the Dynamics of Calmodulin

H. Weinstein, E. Mehler, 1992 .

Conserved Helix 7 Tyrosine Acts as a Multistate Conformational Switch in the 5HT2C Receptor

Harel Weinstein, Stuart C. Sealfon, H. Weinstein, 2002, The Journal of Biological Chemistry.

Ligand-Dependent Conformational Transitions in Molecular Dynamics Trajectories of GPCRs Revealed by a New Machine Learning Rare Event Detection Protocol

H. Weinstein, A. Plante, Ambrose Plante, 2021, Molecules.

N-body Information Theory (NbIT) Analysis of Rigid-Body Dynamics in Intracellular Loop 2 of the 5-HT2A Receptor

Harel Weinstein, Michael V. LeVine, Jose Manuel Perez-Aguilar, 2014, IWBBIO.

NbIT - A New Information Theory-Based Analysis of Allosteric Mechanisms Reveals Residues that Underlie Function in the Leucine Transporter LeuT

Harel Weinstein, Michael V. LeVine, H. Weinstein, 2014, PLoS Comput. Biol..

A knowledge-based scale for the analysis and prediction of buried and exposed faces of transmembrane domain proteins

Thijs Beuming, Harel Weinstein, H. Weinstein, 2004, Bioinform..

Mechanistic Insights from a Refined Three-dimensional Model of Integrin αIIbβ3*

H. Weinstein, B. Coller, S. Hassan, 2004, Journal of Biological Chemistry.

Functional role of a conserved motif in TM6 of the rat mu opioid receptor: constitutively active and inactive receptors result from substitutions of Thr6.34(279) with Lys and Asp.

H Weinstein, H. Weinstein, P. Huang, 2001, Biochemistry.

Structural analysis of carboxypeptidase A and its complexes with inhibitors as a basis for modeling enzyme recognition and specificity

H Weinstein, M N Liebman, H. Weinstein, 1985, Biopolymers.

Models for Active Sites of Metalloenzymes: Comparison of Zinc and Beryllium Containing Complexes

R. Osman, H. Weinstein, 1980 .

Three-dimensional representations of G protein-coupled receptor structures and mechanisms.

Harel Weinstein, J. Ballesteros, H. Weinstein, 2002, Methods in enzymology.

Certain 1,4-Disubstituted Aromatic Piperidines and Piperazines with Extreme Selectivity for the Dopamine D4 Receptor Interact with a Common Receptor Microdomain

Peter Gmeiner, Sandhya Kortagere, Harel Weinstein, 2004, Molecular Pharmacology.

Supplemental Information Structure of Dimeric and Tetrameric Complexes of the BAR Domain Protein PICK 1 Determined by Small-Angle X-Ray Scattering

M. L. Karlsen, H. Weinstein, B. Vestergaard, 2022 .

The effect of a protein environment on the proposed activation mechanism of the histamine H2-receptor

Harel Weinstein, Eric E. J. Haaksma, H. Weinstein, 1991 .

A theoretical study of the effect of primary and secondary structure elements on the proton transfer in papain

R. Osman, H. Weinstein, J. P. Dijkman, 1989 .

Protein Diffusion on Charged Membranes: A Dynamic Mean-Field Model Describes Time Evolution and Lipid Reorganization

George Khelashvili, Harel Weinstein, Daniel Harries, 2007, Biophysical journal.

A detailed interpretation of OH radical footprints in a TBP-DNA complex reveals the role of dynamics in the mechanism of sequence-specific binding.

H. Weinstein, M. Brenowitz, N. Pastor, 2000, Journal of molecular biology.

Localized Molecular Orbitals

Harel Weinstein, H. Weinstein, Maurice Cohen, 1971 .

Membrane Driven Spatial Organization of GPCRs

George Khelashvili, Marta Filizola, Jennifer M. Johnston, 2013, Scientific Reports.

Cholinolytic action of phencyclidine derivatives.

H. Weinstein, S. Maayani, M. Sokolovsky, 1974, European journal of pharmacology.

A new computational method for membrane compressibility: Bilayer mechanical thickness revisited

Michael V. LeVine, H. Weinstein, G. Khelashvili, 2018, bioRxiv.

Augmenting drug–carrier compatibility improves tumour nanotherapy efficacy

Harel Weinstein, Catharina de Lange Davies, Zahi A. Fayad, 2016, Nature Communications.

Transport domain unlocking sets the uptake rate of an aspartate transporter

Daniel S. Terry, H. Weinstein, J. Freed, 2015, Nature.

Single-molecule dynamics of gating in a neurotransmitter transporter homolog

Jonathan A. Javitch, Harel Weinstein, Lei Shi, 2010, Nature.

Membrane lipids are both the substrates and a mechanistically responsive environment of TMEM16 scramblase proteins

George Khelashvili, Harel Weinstein, Milka Doktorova, 2019, J. Comput. Chem..

On the ion selectivity in Ca-binding proteins: the cyclo(-L-Pro-Gly-)3 peptide as a model.

H. Weinstein, F. Sussman, 1989, Proceedings of the National Academy of Sciences of the United States of America.

Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties

George Khelashvili, Jufang Shan, Harel Weinstein, 2012, PLoS Comput. Biol..

Active State-like Conformational Elements in the β2-AR and a Photoactivated Intermediate of Rhodopsin Identified by Dynamic Properties of GPCRs†

H. Weinstein, Daniel S. Han, Simon X. Wang, 2008, Biochemistry.

Molecular dynamics simulations of transducin: interdomain and front to back communication in activation and nucleotide exchange.

H. Weinstein, M. Ceruso, X. Periole, 2004, Journal of molecular biology.

Consequences of Sequential Ca2+ Occupancy for the Structure and Dynamics of CalbindinD9K: Computational Simulations and Comparison to Experimental Determinations in Solution

H. Weinstein, J. Kushick, E. Mehler, 1993 .

Calmodulin structure and function: Implication of arginine in the compaction related to ligand binding

Harel Weinstein, Ernest L. Mehler, H. Weinstein, 1991 .

Structural and energetic parameters of Ca2+ binding to peptides and proteins

H. Weinstein, J. Kushick, K. Hori, 1988, Biopolymers.

Ca2+-dependent mechanism of membrane insertion and destabilization by the SARS-CoV-2 fusion peptide

H. Weinstein, G. Khelashvili, A. Plante, 2021, Biophysical Journal.

Molecular dynamics simulation of the hydrated d(CGCGAATTCGCG)2 dodecamer

Harel Weinstein, Roman Osman, R. Osman, 1993 .

Structural and dynamic effects of cholesterol at preferred sites of interaction with rhodopsin identified from microsecond length molecular dynamics simulations

George Khelashvili, Harel Weinstein, Alan Grossfield, 2009, Proteins.

Modeling activated states of GPCRs: the rhodopsin template

Marta Filizola, Lucy Skrabanek, Masha Y. Niv, 2006, J. Comput. Aided Mol. Des..

Solvation in simulated annealing and high‐temperature molecular dynamics of proteins: A restrained water droplet model

K. Konvička, H. Weinstein, E. Mehler, 2000 .

Molecular Dynamics Simulation of Membranes and a Transmembrane Helix

H. Weinstein, E. Mehler, T. H. Duong, 1999 .

Characterizing In Situ and In Transit Analytics of Molecular Dynamics Simulations for Next-Generation Supercomputers

Trilce Estrada, Ewa Deelman, Loïc Pottier, 2019, 2019 15th International Conference on eScience (eScience).

Analysis of the molecular electrostatic potential for the prediction of N-oxidation and biological activity of substituted pyridines.

R. Osman, H. Weinstein, J. Rabinowitz, 1987, Molecular toxicology.

Structural modeling defines transmembrane residues in ADAM17 that are crucial for Rhbdf2–ADAM17-dependent proteolysis

H. Weinstein, G. Weskamp, C. Blobel, 2017, Journal of Cell Science.

A flexible docking procedure for the exploration of peptide binding selectivity to known structures and homology models of PDZ domains.

Harel Weinstein, Masha Y Niv, H. Weinstein, 2005, Journal of the American Chemical Society.

Accurate In Silico Modeling of Asymmetric Bilayers Based on Biophysical Principles.

Milka Doktorova, Harel Weinstein, H. Weinstein, 2018, Biophysical journal.

A lightweight method for evaluating in situ workflow efficiency

Trilce Estrada, Ewa Deelman, Loïc Pottier, 2020, J. Comput. Sci..

RETENTION AND EXCHANGE OF POTASSIUM IN A SYNAPTOSOMAL FRACTION OF MOUSE BRAIN

H. Weinstein, K. Kuriyama, 1970, Journal of neurochemistry.

ESCRT-II/Vps25 constrains digit number by endosome-mediated selective modulation of FGF-SHH signaling.

K. Anderson, H. Weinstein, M. Depew, 2014, Cell reports.

ESCRT-II / Vps 25 Constrains D igit Number by Endosome-Mediated Selective Modulation of FGF-SHH Signaling Graphical

K. Anderson, H. Weinstein, M. Depew, 2014 .

Perturbation treatment of multiple site reactivity: Molecule–molecule interactions

H. Weinstein, D. Chou, Shih-Yung Chang, 1976 .

Thermodynamic basis for promiscuity and selectivity in protein-protein interactions: PDZ domains, a case study.

Harel Weinstein, Nathalie Basdevant, H. Weinstein, 2006, Journal of the American Chemical Society.

How the dynamic properties and functional mechanisms of GPCRs are modulated by their coupling to the membrane environment.

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2014, Advances in experimental medicine and biology.

Use of Paramagnetic 19F NMR to Monitor Domain Movement in a Glutamate Transporter

Asghar M. Razavi, H. Weinstein, D. Eliezer, 2020, Nature Chemical Biology.

Enhanced serotonin-stimulated adenylate cyclase activity in membranes from adult guinea pig hippocampus.

H. Weinstein, J. Green, A. Shenker, 1983, Life Science.

Two 5-HT receptors linked to adenylate cyclase in guinea pig hippocampus are discriminated by 5-carboxamidotryptamine and spiperone.

H. Weinstein, J. Green, A. Shenker, 1985, European journal of pharmacology.

X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2020, Nature Communications.

Why GPCRs behave differently in cubic and lamellar lipidic mesophases

H. Weinstein, M. Caffrey, G. Khelashvili, 2012, Journal of the American Chemical Society.

The Second Sodium Site in the Dopamine Transporter Controls Cation Permeation and Is Regulated by Chloride*

Thorvald F. Andreassen, H. Weinstein, Lei Shi, 2014, The Journal of Biological Chemistry.

The Membrane Protein LeuT in Micellar Systems: Aggregation Dynamics and Detergent Binding to the S2 Site

George Khelashvili, Jonathan A. Javitch, Harel Weinstein, 2013, Journal of the American Chemical Society.

The binding sites for benztropines and dopamine in the dopamine transporter overlap

H. Weinstein, Lei Shi, A. Newman, 2011, Neuropharmacology.

The Substrate-Driven Transition to an Inward-Facing Conformation in the Functional Mechanism of the Dopamine Transporter

H. Weinstein, Lei Shi, J. Javitch, 2011, PloS one.

An Intracellular Interaction Network Regulates Conformational Transitions in the Dopamine Transporter*

Harel Weinstein, Lei Shi, Jonathan A Javitch, 2008, Journal of Biological Chemistry.

Mapping the Binding Site Pocket of the Serotonin 5-Hydroxytryptamine2A Receptor

H Weinstein, H. Weinstein, S. Sealfon, 1996, The Journal of Biological Chemistry.

H Weinstein, J. Ballesteros, H. Weinstein, 1995, The Journal of Biological Chemistry.

Molecular models for muscarinic ligands

H. Weinstein, 1986 .

A reciprocal mutation supports helix 2 and helix 7 proximity in the gonadotropin-releasing hormone receptor.

K Konvicka, H Weinstein, R P Millar, 1994, Molecular pharmacology.

Steric Hindrance Mutagenesis in the Conserved Extracellular Vestibule Impedes Allosteric Binding of Antidepressants to the Serotonin Transporter*

H. Weinstein, Lei Shi, A. Newman, 2012, The Journal of Biological Chemistry.

Structural Intermediates in a Model of the Substrate Translocation Path in the Bacterial Glutamate Transporter Homologue GltPh

H. Weinstein, Sebastian Stolzenberg, G. Khelashvili, 2012 .

Polarity conserved positions in transmembrane domains of G‐protein coupled receptors and bacteriorhodopsin

H. Weinstein, Daqun Zhang, 1994, FEBS letters.

A Structural Context for Studying Neurotransmitter Transporter Function

H. Weinstein, J. Javitch, T. Beuming, 2004 .

Pathways of Conformational Transitions in Proteins

Ron Elber, Harel Weinstein, H. Weinstein, 2008 .

Surface tension parameterization in molecular dynamics simulations of a phospholipid-bilayer membrane: Calibration and effects

H. Weinstein, R. Sankararamakrishnan, 2004 .

Ion/substrate-dependent conformational dynamics of a bacterial homolog of neurotransmitter:sodium symporters

Harel Weinstein, Lei Shi, Matthias Quick, 2010, Nature Structural &Molecular Biology.

Ligand Selectivity of D2 Dopamine Receptors Is Modulated by Changes in Local Dynamics Produced by Sodium Binding

Harel Weinstein, Spencer S Ericksen, Spencer S. Ericksen, 2009, Journal of Pharmacology and Experimental Therapeutics.

A Dynamic Model of Membrane-Bound Phospholipase Cβ2 Activation by Gβγ Subunits

Harel Weinstein, Sebastian Stolzenberg, H. Weinstein, 2011, Molecular Pharmacology.

Molecular determinants for the agonist activity of 2-methylhistamine and 4-methylhistamine at H2-receptors.

H. Weinstein, P. Reggio, S. Topiol, 1986, Journal of medicinal chemistry.

A theoretical investigation of histamine tautomerism.

R. Osman, H. Weinstein, S. Topiol, 1984, Journal of medicinal chemistry.

Near ab-initio methods for the calculations of large molecules: Comparison of pseudopotential and ab-initio results

R. Osman, H. Weinstein, 1977 .

Channelrhodopsin-2 Function is Modulated by Residual Hydrophobic Mismatch with the Surrounding Lipid Environment

Harel Weinstein, Sayan Mondal, Ryan Richards, 2019, Applied Sciences.

The role of a conserved proline residue in mediating conformational changes associated with voltage gating of Cx32 gap junctions.

J. Ballesteros, H. Weinstein, T. Bargiello, 1999, Biophysical journal.

Supporting Material

Harel Weinstein, Lei Shi, H. Weinstein, 2010 .

Theoretical studies on the activation mechanism of the histamine H2-receptor: the proton transfer between histamine and a receptor model.

H Weinstein, R. Osman, H. Weinstein, 1986, Molecular pharmacology.

Energetic and structural considerations for the mechanism of protein sliding along DNA in the nonspecific BamHI-DNA complex.

H. Weinstein, H. Viadiu, A. Aggarwal, 2003, Biophysical journal.

A partially-open inward-facing intermediate conformation of LeuT is associated with Na+ release and substrate transport

Michael V. LeVine, Daniel S. Terry, H. Weinstein, 2018, Nature Communications.

Quantum chemistry in biomedical sciences

H. Weinstein, J. P. Green, 1981 .

Quantification and Analysis of Combination Drug Synergy in High-Throughput Transcriptome Studies

Harel Weinstein, Zeynep H. Gümüs, Fernando Siso-Nadal, 2010, 2010 IEEE International Conference on BioInformatics and BioEngineering.

Electrostatic analysis of DNA binding properties in lysine to leucine mutants of TATA-box binding proteins.

H. Weinstein, N. Pastor, 1995, Protein Engineering.

A mechanistic role of Helix 8 in GPCRs: Computational modeling of the dopamine D2 receptor interaction with the GIPC1-PDZ-domain.

H. Weinstein, Ozge Sensoy, 2015, Biochimica et biophysica acta.

Gβ Subunit Interacts with a Peptide Encoding Region 956-982 of Adenylyl Cyclase 2

R. Iyengar, H. Weinstein, J. Hildebrandt, 1996, The Journal of Biological Chemistry.

Studies on histamine H2 receptors coupled to cardiac adenylate cyclase. Effects of guanylnucleotides and structural requirements for agonist activity.

H. Weinstein, C. L. Johnson, J. Green, 1979, Biochimica et biophysica acta.

Direct optimization approach to molecular electron density calculation

H. Weinstein, R. Pauncz, 1972 .

A surface on the G protein beta-subunit involved in interactions with adenylyl cyclases.

R. Iyengar, H. Weinstein, F. Guarnieri, 1997, Proceedings of the National Academy of Sciences of the United States of America.

Molecular basis of partial agonism: orientation of indoleamine ligands in the binding pocket of the human serotonin 5-HT2A receptor determines relative efficacy.

H. Weinstein, S. Sealfon, B. J. Ebersole, 2003, Molecular Pharmacology.

Contribution of a helix 5 locus to selectivity of hallucinogenic and nonhallucinogenic ligands for the human 5-hydroxytryptamine2A and 5-hydroxytryptamine2C receptors: direct and indirect effects on ligand affinity mediated by the same locus.

H Weinstein, J. Ballesteros, H. Weinstein, 1996, Molecular pharmacology.

AIM for Allostery: Using the Ising Model to Understand Information Processing and Transmission in Allosteric Biomolecular Systems

Harel Weinstein, Michael V. LeVine, H. Weinstein, 2015, Entropy.

Comparative modeling and molecular dynamics studies of the delta, kappa and mu opioid receptors.

H Weinstein, H. Weinstein, D. Strahs, 1997, Protein engineering.

Role of Annular Lipids in the Functional Properties of Leucine Transporter LeuT Proteomicelles

Michael V. LeVine, H. Weinstein, Lei Shi, 2016, Biochemistry.

Not Just an Oil Slick: How the Energetics of Protein-Membrane Interactions Impacts the Function and Organization of Transmembrane Proteins

George Khelashvili, Harel Weinstein, Sayan Mondal, 2014, Biophysical journal.

The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.

George Khelashvili, Harel Weinstein, Lei Shi, 2013, Chemistry and physics of lipids.

Effects of phencyclidine on cardiac action potential: pH dependence and structure-activity relationships.

H. Weinstein, J. Kupersmith, S. Maayani, 1983, European Journal of Pharmacology.

Theoretical studies of the activation mechanism of histamine H2-receptors: Dimaprit and the receptor model

L. Pardo, R. Osman, H. Weinstein, 2009 .

Interleaflet Coupling in Asymmetric Membranes: Protocols and Revelations

Frederick A. Heberle, H. Weinstein, G. Feigenson, 2018 .

Batch mode generation of residue-based diagrams of proteins

Gert Vriend, Fabien Campagne, Emmanuel Bettler, 2003, Bioinform..

Thermodynamic Coupling Function Analysis of Allosteric Mechanisms in the Human Dopamine Transporter.

Michael V. LeVine, Asghar M. Razavi, H. Weinstein, 2018, Biophysical journal.

The role of transmembrane segment 5 (TM5) in Na2 release and the conformational transition of neurotransmitter:sodium symporters toward the inward-open state

H. Weinstein, Lei Shi, J. Javitch, 2017, The Journal of Biological Chemistry.

Mechanism of the Association between Na+ Binding and Conformations at the Intracellular Gate in Neurotransmitter:Sodium Symporters*

George Khelashvili, Jonathan A. Javitch, Harel Weinstein, 2015, The Journal of Biological Chemistry.

Ion-controlled conformational dynamics in the outward-open transition from an occluded state of LeuT.

Harel Weinstein, Lei Shi, Sebastian Stolzenberg, 2012, Biophysical journal.

Conformational rearrangements to the intracellular open states of the LeuT and ApcT transporters are modulated by common mechanisms.

H. Weinstein, Lei Shi, 2010, Biophysical journal.

Substrate-dependent proton antiport in neurotransmitter:sodium symporters

H. Weinstein, Lei Shi, J. Javitch, 2009, Nature chemical biology.

Probing conformational changes in neurotransmitter transporters: a structural context.

Orkun S. Soyer, Harel Weinstein, Thijs Beuming, 2003, European journal of pharmacology.

Simulation of pH-Dependent Conformational Transitions in Membrane Proteins: The CLC-ec1 Cl−/H+ Antiporter

H. Weinstein, Derek M. Shore, E. Kots, 2021, Molecules.

Acetylcholine-like molecular arrangement in psychomimetic anticholinergic drugs.

H. Weinstein, S. Cohen, S. Maayani, 1973, Proceedings of the National Academy of Sciences of the United States of America.

Mechanisms of nucleophilic addition to activated double bonds : 1,2- and 1,4-Michael addition of ammonia

Harel Weinstein, Leonardo Pardo, Roman Osman, 1993 .

Recognition and activation mechanisms on the LSD/serotonin receptor: the molecular basis of structure activity relationships.

R. Osman, H. Weinstein, J. Green, 1978, NIDA research monograph.

A Novel Metric to Evaluate In Situ Workflows

Trilce Estrada, Ewa Deelman, Michela Taufer, 2020, ICCS.

TRAC: A Platform for Structure-Function Studies of NSS-Proteins Integrates Information from Bioinformatics and Biomedical Literature

Jonathan A. Javitch, Marko Srdanovic, Lucy Skrabanek, 2010, 2010 IEEE International Conference on BioInformatics and BioEngineering.

Nucleophilic addition to activated double bonds: predictions of reactivity from the Laplacian of the charge density

R. Osman, H. Weinstein, J. Cheeseman, 1989 .

The structure and dynamics of GPCR oligomers: a new focus in models of cell-signaling mechanisms and drug design.

Marta Filizola, Harel Weinstein, H. Weinstein, 2005, Current opinion in drug discovery & development.

A New Computational Method for Membrane Compressibility: Bilayer Mechanical Thickness Revisited.

Michael V. LeVine, H. Weinstein, G. Khelashvili, 2019, Biophysical journal.

An Amphipathic Helix Directs Cellular Membrane Curvature Sensing and Function of the BAR Domain Protein PICK1.

H. Weinstein, G. Khelashvili, U. Gether, 2018, Cell reports.

Modeling activated states of GPCRs: the rhodopsin template

Marta Filizola, Lucy Skrabanek, Masha Y. Niv, 2007, J. Comput. Aided Mol. Des..

Modeling membrane deformations and lipid demixing upon protein-membrane interaction: the BAR dimer adsorption.

H. Weinstein, G. Khelashvili, D. Harries, 2009, Biophysical journal.

A mechanistic understanding of the modes of Ca ion binding to the SARS-CoV-1 fusion peptide and their role in the dynamics of host membrane penetration

H. Weinstein, G. Khelashvili, G. Whittaker, 2023, bioRxiv.

GPCRmd uncovers the dynamics of the 3D-GPCRome

Toni Giorgino, Davide Provasi, Gianni De Fabritiis, 2020, Nature Methods.

GPCRmd uncovers the dynamics of the 3D-GPCRome

David E. Gloriam, Johanna K. S. Tiemann, J. C. Gómez-Tamayo, 2020 .

Substrate-modulated gating dynamics in a Na+-coupled neurotransmitter transporter homolog

Daniel S. Terry, H. Weinstein, Lei Shi, 2011, Nature.

On the structural and mechanistic basis of function, classification, and ligand design for 5-HT receptors.

R. Osman, H. Weinstein, 1990, Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology.

Conformational rearrangements to the intracellular open states of the LeuT and ApcT transporters are modulated by common mechanisms.

H. Weinstein, Lei Shi, 2010, Biophysical journal.

Conformational changes in dopamine transporter intracellular regions upon cocaine binding and dopamine translocation

H. Weinstein, Lei Shi, J. Javitch, 2014, Neurochemistry International.