S. Keinan

发表

Control mechanisms for transport and nonlinear optical response in organic materials: a tale of twists and barriers

M. Ratner, G. Hutchison, A. Facchetti, 2004 .

The Serpintine Solution

Alex, Frcp, Facc, 2017 .

Controlling ground and excited state properties through ligand changes in ruthenium polypyridyl complexes.

Michael R. Norris, Javier J. Concepcion, M. K. Brennaman, 2014, Inorganic chemistry.

Role of nucleobase energetics and nucleobase interactions in single-stranded peptide nucleic acid charge transfer.

Ravindra Venkatramani, Shahar Keinan, David N Beratan, 2009, Journal of the American Chemical Society.

Design of Coupled Porphyrin Chromophores with Unusually Large Hyperpolarizabilities

David N. Beratan, Shahar Keinan, Michael J. Therien, 2012 .

Twisted π-system electro-optic chromophores. A CIS vs. MRD-CI theoretical investigation

M. Ratner, J. Brédas, T. Marks, 2003 .

NCIPLOT: a program for plotting non-covalent interaction regions.

Jean-Philip Piquemal, Julia Contreras-García, Shahar Keinan, 2011, Journal of chemical theory and computation.

Prospects and Challenges of Phospholipid-Based Prodrugs

S. Ben-Shabat, A. Dahan, S. Keinan, 2018, Pharmaceutics.

Activation of the β‐common receptor by erythropoietin impairs acetylcholine‐mediated vasodilation in mouse mesenteric arterioles

K. Conrad, M. Segal, S. Keinan, 2018, Physiological reports.

Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex.

D. Beratan, B. Hoffman, J. Nocek, 2012, Physical chemistry chemical physics : PCCP.

Excited state enhancement of non-linear optical response in the push–pull imide and diimide chromophores

M. Ratner, T. Marks, S. Keinan, 2006 .

In Silico Prediction of Ligand Binding Energies in Multiple Therapeutic Targets and Diverse Ligand Sets-A Case Study on BACE1, TYK2, HSP90, and PERK Proteins.

Elizabeth Hatcher Frush, S. Keinan, Sivakumar Sekharan, 2017, The journal of physical chemistry. B.

Computational design, synthesis and biological evaluation of para-quinone-based inhibitors for redox regulation of the dual-specificity phosphatase Cdc25B.

P. Wipf, Weitao Yang, D. Beratan, 2008, Organic & biomolecular chemistry.

Ultrafast Formation of a Long-Lived Charge-Separated State in a Ru-Loaded Poly(3-hexylthiophene) Light-Harvesting Polymer

Erik M. Grumstrup, K. Schanze, J. Reynolds, 2013 .

Controlled electropolymerization of ruthenium(II) vinylbipyridyl complexes in mesoporous nanoparticle films of TiO(2).

Hanlin Luo, T. Meyer, L. Alibabaei, 2014, Angewandte Chemie.

Self-Assembled Electrooptic Superlattices. A Theoretical Study of Multilayer Formation and Response Using Donor−Acceptor, Hydrogen-Bond Building Blocks

M. Ratner, T. Marks, S. Keinan, 2004 .

Phospholipid-Based Prodrugs for Colon-Targeted Drug Delivery: Experimental Study and In-Silico Simulations

I. Kurnikov, S. Ben-Shabat, A. Dahan, 2019, Pharmaceutics.

Deriving Immune-Modulating Peptides from Viral Serine Protease Inhibitors (Serpins).

G. McFadden, S. Keinan, A. Lucas, 2021, Methods in molecular biology.

The C5SiMe7+ cation: pyramidal, bicyclic, or cyclohexadienyl?

S. Keinan, J. B. Lambert, Lijun Lin, 2003, Organic & biomolecular chemistry.

Revealing noncovalent interactions.

Julia Contreras-García, Shahar Keinan, Weitao Yang, 2010, Journal of the American Chemical Society.

Studies in copper(II) complexes: correlations between quantitative symmetry and physical properties

D. Avnir, S. Keinan, Shahar Keinan, 2001 .

Continuous symmetry analysis of tetrahedral/planar distortions. Copper chlorides and other AB4 species.

D. Avnir, S. Keinan, D Avnir, 2001, Inorganic chemistry.

QUANTITATIVE CHIRALITY IN STRUCTURE-ACTIVITY CORRELATIONS. SHAPE RECOGNITION BY TRYPSIN, BY THE D2 DOPAMINE RECEPTOR, AND BY CHOLINESTERASES

D. Avnir, S. Keinan, Shahar Keinan, 1998 .

Molecular zippers – designing a supramolecular system

Mark A. Ratner, Tobin J. Marks, Shahar Keinan, 2004 .

Lipidic prodrug approach for improved oral drug delivery and therapy

S. Ben-Shabat, A. Dahan, S. Keinan, 2018, Medicinal research reviews.

Molecular Modeling-Guided Design of Phospholipid-Based Prodrugs

S. Ben-Shabat, A. Dahan, S. Keinan, 2019, International journal of molecular sciences.

Nucleic Acid Charge Transfer: Black, White and Gray.

D. Beratan, A. Balaeff, R. Venkatramani, 2011, Coordination chemistry reviews.

Immune protection is dependent on the gut microbiome in a lethal mouse gammaherpesviral infection

Barbara H. Munk, R. Krajmalnik-Brown, J. Maldonado, 2020, Scientific Reports.

PNA versus DNA: effects of structural fluctuations on electronic structure and hole-transport mechanisms.

Ravindra Venkatramani, Shahar Keinan, David N Beratan, 2008, Journal of the American Chemical Society.

Steering electrons on moving pathways.

Ravindra Venkatramani, Dequan Xiao, Shahar Keinan, 2009, Accounts of chemical research.

Computational design and experimental characterization of a novel β-common receptor inhibitory peptide

M. Segal, S. Keinan, Sivakumar Sekharan, 2018, Peptides.

Identification of 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones as isoform-selective PKC-zeta inhibitors and potential therapeutics for psychostimulant abuse.

W. Wetsel, D. Beratan, S. Keinan, 2009, Molecular bioSystems.

Effect of backbone flexibility on charge transfer rates in peptide nucleic acid duplexes.

D. Ly, D. Beratan, D. Waldeck, 2012, Journal of the American Chemical Society.

Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers.

D. Beratan, R. Venkatramani, T. Park, 2010, Journal of the American Chemical Society.

Ru(bpy)32+ derivatized polystyrenes constructed by nitroxide-mediated radical polymerization. Relationship between polymer chain length, structure and photophysical properties

K. Schanze, J. Reynolds, S. Keinan, 2015 .

Computational modeling and in-vitro/in-silico correlation of phospholipid-based prodrugs for targeted drug delivery in inflammatory bowel disease

Igor Kurnikov, Shahar Keinan, Milica Markovic, 2017, Journal of Computer-Aided Molecular Design.

A CQM-based approach to solving a combinatorial problem with applications in drug design

Victoria M. Ingman, S. Keinan, B. Benson, 2023, 2303.15419.

Molecular design of porphyrin-based nonlinear optical materials.

Shahar Keinan, David N Beratan, Weitao Yang, 2008, The journal of physical chemistry. A.

Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework.

Shahar Keinan, Xiangqian Hu, David N Beratan, 2007, The journal of physical chemistry. A.

Varying the electronic structure of surface-bound ruthenium(II) polypyridyl complexes.

Javier J. Concepcion, M. K. Brennaman, T. Meyer, 2015, Inorganic chemistry.

Evidence for a near-resonant charge transfer mechanism for double-stranded peptide nucleic acid.

D. Beratan, D. Waldeck, A. Balaeff, 2011, Journal of the American Chemical Society.

Electronic and optical properties of polypyridylruthenium derivatized polystyrenes: multi-level computational analysis of metallo-polymeric chromophore assemblies.

Y. Kanai, S. Keinan, Zoe Watson, 2015, Physical chemistry chemical physics : PCCP.

Immune protection is dependent on the gut microbiome in a lethal mouse gammaherpesviral infection

Barbara H. Munk, R. Krajmalnik-Brown, J. Maldonado, 2020, Scientific Reports.

Steering Electrons on Moving Pathways

David N. Beratan, Ravindra Venkatramani, Dequan Xiao, 2010 .

Continuous symmetry analysis of hyperpolarizabilities. Characterization of the second-order nonlinear optical response of distorted benzene

Mark A. Ratner, Tobin J. Marks, David Avnir, 1995 .

Quantitative evaluation of the near-C2 symmetry of the bacterial photosynthetic reaction center

D. Avnir, S. Keinan, M. Pinsky, 1998 .