Gennady Verkhivker

发表

Integrated Computational Approaches and Tools for Allosteric Drug Discovery

Olivier Sheik Amamuddy, Wayde Veldman, Colleen Manyumwa, 2020, International journal of molecular sciences.

Experimentally Guided Structural Modeling and Dynamics Analysis of Hsp90-p53 Interactions: Allosteric Regulation of the Hsp90 Chaperone by a Client Protein

Gennady Verkhivker, Kristin Blacklock, Gennady M Verkhivker, 2013, J. Chem. Inf. Model..

Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming

David B. Fogel, Lawrence J. Fogel, Gennady Verkhivker, 1995, Evolutionary Programming.

Coarse-Grained Modeling of the HIV-1 Protease Binding Mechanisms: II. Folding Inhibition

Gennady Verkhivker, 2008, CIBB.

Deciphering common failures in molecular docking of ligand-protein complexes

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 2000, J. Comput. Aided Mol. Des..

Structure-Functional Prediction and Analysis of Cancer Mutation Effects in Protein Kinases

Gennady Verkhivker, Anshuman Dixit, Gennady M Verkhivker, 2014, Comput. Math. Methods Medicine.

Exploring sequence-structure relationships in the tyrosine kinome space: functional classification of the binding specificity mechanisms for cancer therapeutics

Gennady Verkhivker, Gennady M Verkhivker, 2007, Bioinform..

Computational Analysis of Residue Interaction Networks and Coevolutionary Relationships in the Hsp70 Chaperones: A Community-Hopping Model of Allosteric Regulation and Communication

Gennady Verkhivker, Gabrielle Stetz, Gennady M Verkhivker, 2017, PLoS Comput. Biol..

Computational proteomics analysis of binding mechanisms and molecular signatures of the HIV-1 protease drugs

Gennady Verkhivker, Gennady M Verkhivker, 2009, Artif. Intell. Medicine.

Computational Modeling of Allosteric Regulation in the Hsp90 Chaperones: A Statistical Ensemble Analysis of Protein Structure Networks and Allosteric Communications

Gennady Verkhivker, Kristin Blacklock, Gennady M Verkhivker, 2014, PLoS Comput. Biol..

Integrating Ligand-Based and Protein-Centric Virtual Screening of Kinase Inhibitors Using Ensembles of Multiple Protein Kinase Genes and Conformations

Gennady Verkhivker, Anshuman Dixit, Gennady M Verkhivker, 2012, J. Chem. Inf. Model..

Thermodynamics and Kinetics of Ligand-Protein Binding Studied with the Weighted Histogram Analysis Method and Simulated Annealing

Gennady Verkhivker, Peter W. Rose, Paul A. Rejto, 1999, Pacific Symposium on Biocomputing.

Imprint of evolutionary conservation and protein structure variation on the binding function of protein tyrosine kinases

Gennady Verkhivker, Gennady M Verkhivker, 2006, Bioinform..

Coarse-Grained Modeling of the HIV-1 Protease Binding Mechanisms: I. Targeting Structural Flexibility of the Protease Flaps and Implications for Drug Design

Gennady Verkhivker, Gennady M Verkhivker, 2009, CIBB.

Allosteric mechanism of the circadian protein Vivid resolved through Markov state model and machine learning analysis

Gennady Verkhivker, Zheng Dong, Peng Tao, 2019, PLoS Comput. Biol..

Integrating Genetic and Structural Data on Human Protein Kinome in Network-Based Modeling of Kinase Sensitivities and Resistance to Targeted and Personalized Anticancer Drugs

Gennady Verkhivker, 2016, PSB.

Hierarchical Modeling of Activation Mechanisms in the ABL and EGFR Kinase Domains: Thermodynamic and Mechanistic Catalysts of Kinase Activation by Cancer Mutations

Gennady Verkhivker, Anshuman Dixit, Gennady M Verkhivker, 2009, PLoS Comput. Biol..

Modeling Signal Propagation Mechanisms and Ligand-Based Conformational Dynamics of the Hsp90 Molecular Chaperone Full-Length Dimer

Giorgio Colombo, Gennady Verkhivker, Gennady M Verkhivker, 2009, PLoS Comput. Biol..

Computational Proteomics of Biomolecular Interactions in Sequence and Structure Space of the Tyrosine Kinome: Evolutionary Constraints and Protein Conformational Selection Determine Binding Signatures of Cancer Drugs

Gennady Verkhivker, Gennady M Verkhivker, 2007, WILF.

Computational Modeling of Allosteric Communication Reveals Organizing Principles of Mutation-Induced Signaling in ABL and EGFR Kinases

Gennady Verkhivker, Anshuman Dixit, Gennady M Verkhivker, 2011, PLoS Comput. Biol..

Design, Synthesis, and Evaluation of Dasatinib–Amino Acid and Dasatinib–Fatty Acid Conjugates as Protein Tyrosine Kinase Inhibitors

Gennady Verkhivker, Gennady M Verkhivker, Alex Brown, 2016, ChemMedChem.

Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90.

Gennady Verkhivker, Giorgio Colombo, Gennady M Verkhivker, 2010, Journal of chemical theory and computation.

Computational modeling of structurally conserved cancer mutations in the RET and MET kinases: the impact on protein structure, dynamics, and stability.

Gennady Verkhivker, Anshuman Dixit, Ali Torkamani, 2009, Biophysical journal.