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List of works by Shahar Keinan

A free, tricoordinate stannylium cation

scientific article published on 01 May 2003

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

scientific article published on 7 April 2018

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

scientific article published on 15 July 2008

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

scientific article published on 28 March 2014

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

scientific article published on 21 May 2014

Crystal Structure of Cleaved Serp-1, a Myxomavirus-derived Immune Modulating Serpin; Structural Design of Serpin Reactive Center Loop (RCL) Peptides with Improved Therapeutic Function.

scientific article published on 11 December 2017

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

scientific article

Effect of Backbone Flexibility on Charge Transfer Rates in Peptide Nucleic Acid Duplexes

scientific article published on 21 May 2012

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

scientific article published on 02 December 2014

Evidence for a Near-Resonant Charge Transfer Mechanism for Double-Stranded Peptide Nucleic Acid

scientific article published on 09 December 2010

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

scientific article

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

scientific article published on 11 February 2020

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.

scientific article

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

scientific article published on 7 September 2012

Molecular Modeling-Guided Design of Phospholipid-Based Prodrugs ⬇️

scientific article published on 05 May 2019

Molecular design of porphyrin-based nonlinear optical materials

scientific article

NCIPLOT: a program for plotting non-covalent interaction regions

scientific article

Nucleic Acid Charge Transfer: Black, White and Gray

scientific article published on April 2011

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

scientific article published in June 2010

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

scientific article published on 12 August 2008

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

scientific article published on 16 April 2019

Phospholipid-Based Prodrugs for Drug Targeting in Inflammatory Bowel Disease: Computational Optimization and In-Vitro Correlation.

scientific article

Revealing noncovalent interactions

scientific article

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

scientific article published in May 2009

Steering electrons on moving pathways

scientific article published on October 2009

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

scientific article published in July 2003

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

scientific article published on 23 December 2014

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