S. Hassan

发表

A General Treatment of Solvent Effects Based on Screened Coulomb Potentials

S. Hassan, A. Guarnieri, E. Mehler, 2000 .

In Silico Approaches to Structure and Function of Cell Components and Their Assemblies: Molecular Electrostatics and Solvent Effects

S. Hassan, E. Mehler, 2016 .

9.11 Molecular Electrostatics and Solvent Effects

S. Hassan, E. Mehler, 2012 .

Long dynamics simulations of proteins using atomistic force fields and a continuum representation of solvent effects: Calculation of structural and dynamic properties

Sergio A Hassan, S. Hassan, E. Mehler, 2005, Proteins.

A critical analysis of continuum electrostatics: The screened Coulomb potential–implicit solvent model and the study of the alanine dipeptide and discrimination of misfolded structures of proteins

S. Hassan, E. Mehler, Sergio A. Hassan, 2002, Proteins.

A general screened Coulomb potential based implicit solvent model: Calculation of secondary structure of small peptides

Ernest L. Mehler, Sergio A. Hassan, S. Hassan, 2001 .

Self-consistent treatment of the local dielectric permittivity and electrostatic potential in solution for polarizable macromolecular force fields.

S. Hassan, 2012, The Journal of chemical physics.

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.

Artificial neural networks for the inverse design of nanoparticles with preferential nano-bio behaviors.

S. Hassan, 2020, The Journal of chemical physics.

Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation

Ram D. Sriram, S. Hassan, A. Cardone, 2015, J. Comput. Chem..

Morphology of ion clusters in aqueous electrolytes.

S. Hassan, 2008, Physical review. E, Statistical, nonlinear, and soft matter physics.

Effects of electric fields on proton transport through water chains.

G. Hummer, S. Hassan, Yong‐Sok Lee, 2006, The Journal of chemical physics.

The Intriguing Effects of Substituents in the N-Phenethyl Moiety of Norhydromorphone: A Bifunctional Opioid from a Set of “Tail Wags Dog” Experiments

Sarah L. Withey, S. Hassan, K. Rice, 2020, Molecules.

Blockade of GRTH/DDX25 Phosphorylation by Cyclic Peptides Provides an Avenue for Developing a Nonhormonal Male Contraceptive.

S. Hassan, M. Dufau, Murugananthkumar Raju, 2021, Journal of medicinal chemistry.

Synthesis, Biological Evaluation, and Molecular Modeling Studies of 3,4-Diarylpyrazoline Series of Compounds as Potent, Nonbrain Penetrant Antagonists of Cannabinoid-1 (CB1R) Receptor with Reduced Lipophilicity.

M. R. Iyer, S. Hassan, N. J. Coffey, 2022, Journal of medicinal chemistry.

Functional Selectivity of a Biased Cannabinoid-1 Receptor (CB1R) Antagonist

M. R. Iyer, J. Wess, J. Liow, 2021, ACS pharmacology & translational science.

Biomolecular interactions of ultrasmall metallic nanoparticles and nanoclusters

S. Hassan, P. Schuck, A. Sousa, 2021, Nanoscale advances.

G-Protein biased opioid agonists: 3-hydroxy-N-phenethyl-5-phenylmorphans with three-carbon chain substituents at C9.

Eugene S. Gutman, J. Deschamps, S. Hassan, 2020, RSC medicinal chemistry.

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 .

Coordination properties of dehydroacetic acid – binary and ternary complexes

S. Hassan, M. Shoukry, M. Shehata, 2008 .

Modulation of opioid receptor affinity and efficacy via N-substitution of 9β-hydroxy-5-(3-hydroxyphenyl)morphan: Synthesis and computer simulation study.

J. Deschamps, S. Hassan, K. Rice, 2017, Bioorganic & medicinal chemistry.

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

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

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.

Characterization of the Phosphorylation Site of GRTH/DDX25 and Protein Kinase A Binding Interface Provides Structural Basis for the Design of a Non-Hormonal Male Contraceptive

S. Hassan, M. Dufau, Murugananthkumar Raju, 2019, Scientific Reports.

Intramolecular Disulfide Bonds of the Prolactin Receptor Short Form Are Required for Its Inhibitory Action on the Function of the Long Form of the Receptor

A. Qazi, S. Hassan, C. Tsai-Morris, 2008, Molecular and Cellular Biology.

Computational study of the inhibitory mechanism of the kinase CDK5 hyperactivity by peptide p5 and derivation of a pharmacophore

H. C. Pant, A. Cardone, M. Brady, 2016, Journal of Computer-Aided Molecular Design.

Amino acid side chain interactions in the presence of salts.

S. Hassan, 2005, The journal of physical chemistry. B.

Self-adaptive multiscaling algorithm for efficient simulations of many-protein systems in crowded conditions.

Sergio A Hassan, S. Hassan, 2018, Physical chemistry chemical physics : PCCP.

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 .

Development of R7BP inhibitors through cross-linking coupled mass spectrometry and integrated modeling

Poorni R. Adikaram, Jian-Hua Zhang, Claire M. Kittock, 2019, Communications Biology.

GATA2 deficiency and human hematopoietic development modeled using induced pluripotent stem cells.

S. Holland, S. Hassan, F. Donaires, 2018, Blood advances.

Computational Study of the Forces Driving Aggregation of Ultrasmall Nanoparticles in Biological Fluids.

S. Hassan, 2017, ACS nano.

Evidence That Proline Focuses Movement of the Floppy Loop of Arylalkylamine N-Acetyltransferase (EC 2.3.1.87)*

D. Sackett, S. Hassan, D. Klein, 2008, Journal of Biological Chemistry.

Impact of subdomain D1 of the short form S1b of the human prolactin receptor on its inhibitory action on the function of the long form of the receptor induced by prolactin.

S. Hassan, C. Tsai-Morris, M. Dufau, 2014, Biochimica et biophysica acta.

Role of Albumin in the Formation and Stabilization of Nanoparticle Aggregates in Serum Studied by Continuous Photon Correlation Spectroscopy and Multiscale Computer Simulations

Xiaoyuan Chen, Sergio A. Hassan, S. Hassan, 2014, The journal of physical chemistry. C, Nanomaterials and interfaces.

Plasticity in structure and assembly of SARS-CoV-2 nucleocapsid protein.

Jiji Chen, H. Shroff, S. Hassan, 2022, PNAS nexus.

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

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

Strong dependence of the nano-bio interactions on core morphology and layer composition of ultrasmall nanostructures.

S. Hassan, 2019, The Journal of chemical physics.

Biointeractions of ultrasmall glutathione-coated gold nanoparticles: effect of small size variations.

Sergio A Hassan, Peter Schuck, Andrea Balbo, 2016, Nanoscale.

Reversion mutations in phosphoprotein P of a codon-pair-deoptimized human respiratory syncytial virus confer increased transcription, immunogenicity, and genetic stability without loss of attenuation

Celia Santos, S. Hassan, P. Collins, 2021, PLoS pathogens.

Informational-statistical thermodynamics of a dissipative system in a steady state

S. Hassan, Á. R. Vasconcellos, R. Luzzi, 1997 .

Computer simulation of ion cluster speciation in concentrated aqueous solutions at ambient conditions.

S. Hassan, 2008, The journal of physical chemistry. B.

A conserved oligomerization domain in the disordered linker of coronavirus nucleocapsid proteins

S. Hassan, G. Piszczek, Huaying Zhao, 2023, Science advances.

Plasticity in structure and assembly of SARS-CoV-2 nucleocapsid protein

H. Shroff, S. Hassan, G. Piszczek, 2022, bioRxiv.

The electronic band structure of a model of a sodium chloride type crystal

S. Hassan, 1965 .

Computer Simulation of Protein-Ligand Interactions

Luis Gracia, Peter J. Steinbach, Sergio A. Hassan, 2005 .

Binding kinetics of ultrasmall gold nanoparticles with proteins.

S. Hassan, Huaying Zhao, P. Schuck, 2018, Nanoscale.

The Host Adapted Fungal Pathogens of Pneumocystis Genus Utilize Genic Regional Centromeres

S. Grewal, Honghui Wang, J. Kovacs, 2023, bioRxiv.

Water-exclusion and liquid-structure forces in implicit solvation.

Sergio A Hassan, S. Hassan, Peter J Steinbach, 2011, The journal of physical chemistry. B.

Specific and non-specific protein association in solution: computation of solvent effects and prediction of first-encounter modes for efficient configurational bias Monte Carlo simulations.

Sergio A Hassan, Antonio Cardone, S. Hassan, 2013, The journal of physical chemistry. B.

Modulation of free energy landscapes as a strategy for the design of antimicrobial peptides

S. Hassan, P. Steinbach, 2022, Journal of Biological Physics.

Structural and dynamic determinants of ligand binding and regulation of cyclin-dependent kinase 5 by pathological activator p25 and inhibitory peptide CIP.

Ram D. Sriram, S. Hassan, A. Cardone, 2010, Journal of molecular biology.

Microscopic mechanism of nanocrystal formation from solution by cluster aggregation and coalescence.

S. Hassan, 2011, The Journal of chemical physics.

Nonlinear-driven instability of dynamical plasma in solids: Emergence of spatially self-organized order and chaotic-like behavior

S. Hassan, Á. R. Vasconcellos, R. Luzzi, 2000 .

Modeling Aqueous Solvent Effects through Local Properties of Water

S. Hassan, E. Mehler, 2010 .

Liquid-structure forces and electrostatic modulation of biomolecular interactions in solution.

Sergio A Hassan, S. Hassan, 2007, The journal of physical chemistry. B.

Intermolecular Potentials of Mean Force of Amino Acid Side Chain Interactions in Aqueous Medium

Sergio A. Hassan, S. Hassan, 2004 .

Characterization of Hydrogen Bonding in a Continuum Solvent Model

Ernest L. Mehler, Sergio A. Hassan, S. Hassan, 2000 .

From quantum chemistry and the classical theory of polar liquids to continuum approximations in molecular mechanics calculations

Ernest L. Mehler, Sergio A. Hassan, S. Hassan, 2005 .

Implicit treatment of solvent dispersion forces in protein simulations

Sergio A. Hassan, S. Hassan, 2014, J. Comput. Chem..

Characterization of the Phosphorylation Site of GRTH/DDX25 and Protein Kinase A Binding Interface Provides Structural Basis for the Design of a Non-Hormonal Male Contraceptive

S. Hassan, M. Dufau, Murugananthkumar Raju, 2019, Scientific Reports.

A conserved oligomerization domain in the disordered linker of coronavirus nucleocapsid proteins

S. Hassan, G. Piszczek, Huaying Zhao, 2023, Science advances.

The informational-statistical-entropy operator in a nonequilibrium ensemble formalism

S. Hassan, Á. R. Vasconcellos, R. Luzzi, 1999 .

Cannabinoformins: Designing Biguanide-Embedded, Orally Available, Peripherally Selective Cannabinoid-1 Receptor Antagonists for Metabolic Syndrome Disorders.

M. R. Iyer, S. Hassan, G. Godlewski, 2023, Journal of medicinal chemistry.