M. Shokhen

发表

Identification of protons position in acid–base enzyme catalyzed reactions: The hepatitis C viral NS3 protease

Michael Shokhen, Amnon Albeck, M. Shokhen, 2004, Proteins.

A New Oxopiperazin‐Based Peptidomimetic Molecule Inhibits Prostatic Acid Phosphatase Secretion and Induces Prostate Cancer Cell Apoptosis

D. Vertommen, M. Shubely, Sharon Ruthstein, 2016 .

From Catalytic Mechanism to Rational Design of Reversible Covalent Inhibitors of Serine and Cysteine Hydrolases

N. Khazanov, M. Shokhen, A. Albeck, 2014 .

The mechanism of papain inhibition by peptidyl aldehydes

N. Khazanov, M. Shokhen, A. Albeck, 2011, Proteins.

Challenging a paradigm: Theoretical calculations of the protonation state of the Cys25‐His159 catalytic diad in free papain

N. Khazanov, M. Shokhen, A. Albeck, 2009, Proteins.

Semi-empirical mo study of reaction mechanism of carbinolamines formation by mindo/3 method

M. Shokhen, D. Tikhomirov, A. V. Yeremeyev, 1983 .

Conformational preferences for 3-piperideines: an Ab initio and molecular mechanics study.

A. M. Belostotskii, H. Gottlieb, M. Shokhen, 2001, Chemistry.

Peptidyl epoxides extended in the P' direction as cysteine protease inhibitors: effect on affinity and mechanism of inhibition.

M. Shokhen, A. Albeck, N. Perlman, 2008, Bioorganic & medicinal chemistry.

Dependence of the reactivity of five-membered heterocycles on their structure. 3. Proton affinity of azoles and oxazoles

M. Shokhen, V. Andrianov, A. Eremeev, 1989 .

Scopolamine and atropineN-methyl diastereomer stability.Ab initio calculations onO-formylscopine andO-formyltropine model compounds

R. Glaser, M. Shokhen, V. Khutorsky, 1997 .

Nitrogen inversion in cyclic amines and the bicyclic effect.

A. M. Belostotskii, H. Gottlieb, M. Shokhen, 2002, The Journal of organic chemistry.

Asymmetric nitrogen 60. Acylation as a pathway to optically active 1,3,3-trisubstituted diaziridines

M. Shokhen, R. Kostyanovskii, G. Shustov, 1988 .

Factors determining the relative stability of anionic tetrahedral complexes in serine protease catalysis and inhibition

M. Shokhen, A. Albeck, 2000, Proteins.

Enzyme Isoselective Inhibitors: A Tool for Binding‐Trend Analysis

N. Khazanov, M. Shokhen, A. Albeck, 2006, ChemMedChem.

Evaluation of the contribution of intramolecular interactions to proton affinity of aminofurazans by the SCF-MO method in the mindo/3 approximation

M. Shokhen, V. Andrianov, A. Eremeev, 1979 .

Quantum-chemical study of the electrophilicities of ynamino and ynaziridino esters

M. Shokhen, A. Eremeev, D. Tikhomirov, 1989 .

Enzyme Isoselective Inhibitors: Application to Drug Design

N. Khazanov, M. Shokhen, A. Albeck, 2006, ChemMedChem.

Molecular modeling of ARF6 dysregulation caused by mutations in IQSEC2.

V. Uversky, A. Levy, N. Levy, 2023, Journal of biomolecular structure & dynamics.

A new method for filtering of reactive "warheads" of transition-state analog protease inhibitors.

M. Shokhen, A. Albeck, T. Traube, 2014, European journal of medicinal chemistry.

EMBM - A New Enzyme Mechanism-Based Method for Rational Design of Chemical Sites of Covalent Inhibitors

Michael Shokhen, Tamar Traube, Subramaniam Vijayakumar, 2010, J. Chem. Inf. Model..

Screening of the active site from water by the incoming ligand triggers catalysis and inhibition in serine proteases

N. Khazanov, M. Shokhen, A. Albeck, 2007, Proteins.

The Cooperative Effect Between Active Site Ionized Groups and Water Desolvation Controls the Alteration of Acid/Base Catalysis in Serine Proteases

N. Khazanov, M. Shokhen, A. Albeck, 2007, Chembiochem : a European journal of chemical biology.

Is there a weak H‐bond → LBHB transition on tetrahedral complex formation in serine proteases?

M. Shokhen, A. Albeck, 2004, Proteins.

Analysis of the effect of the number of α-oxygen and α-fluorine atoms on the nucleophilicity of amines relative to a carbonyl substrate

M. Shokhen, R. Kostyanovskii, A. Eremeev, 1985 .

Phage-Displayed Mimotopes of SARS-CoV-2 Spike Protein Targeted to Authentic and Alternative Cellular Receptors

V. Petrenko, J. W. Gillespie, L. D. De Plano, 2022, Viruses.

Application of EMBM to Structure‐Based Design of Warheads for Protease Inhibitors

M. Shokhen, A. Albeck, T. Traube, 2014, Molecular informatics.

The Catalytic Machinery of Rhomboid Proteases: Combined MD and QM Simulations.

M. Shokhen, A. Albeck, Neta Uritsky, 2012, Journal of chemical theory and computation.

Development and characterisation of SMURF2-targeting modifiers

M. Shubely, A. Gruzman, M. Shokhen, 2021, Journal of enzyme inhibition and medicinal chemistry.

Differentiating Serine and Cysteine Protease Mechanisms by New Covalent QSAR Descriptors

M. Shokhen, A. Albeck, Michal Hirsch, 2011, Chembiochem : a European journal of chemical biology.

Stepwise Versus Concerted Mechanisms in General-Base Catalysis by Serine Proteases.

M. Shokhen, A. Albeck, Neta Uritsky, 2016, Angewandte Chemie.

Anionic Tetrahedral Complexes as Serine Protease Inhibitors

D. Arad, M. Shokhen, 1996 .

The Source for the Difference Between Sulfhydryl and Hydroxyl Anions in Their Nucleophilic Addition Reaction to a Carbonyl Group: A DFT Approach.

D. Arad, M. Shokhen, 1996 .

The mechanism of papain inhibition by peptidyl aldehydes

N. Khazanov, M. Shokhen, A. Albeck, 2011, Proteins.

Dependence of the reactivity of five-membered aromatic heterocycles on their structure. 2. Effect of aza substitution on the proton affinity of aminofurans

M. Shokhen, V. Andrianov, A. Eremeev, 1987 .

Dependence of the reactivity of five-membered aromatic heterocycles on their structure. 1. Effect of the number, type, and position of nitrogen atoms on the proton affinity of aminoazoles

M. Shokhen, V. Andrianov, A. Eremeev, 1987 .