Verkhivker GM - Search Results

1

Conformational Dynamics and Mechanisms of Client Protein Integration into the Hsp90 Chaperone Controlled by Allosteric Interactions of Regulatory Switches: Perturbation-Based Network Approach for Mutational Profiling of the Hsp90 Binding and Allostery.

Verkhivker GM. Verkhivker GM. J Phys Chem B. 2022 Jul 19. doi: 10.1021/acs.jpcb.2c03464. Online ahead of print. J Phys Chem B. 2022. PMID: 35853093

2

Microsecond Molecular Dynamics Simulations and Markov State Models of Mutation-Induced Allosteric Mechanisms for the Light-Oxygen-Voltage 2 Protein : Revealing Structural Basis of Signal Transmission Induced by Photoactivation of the Light Protein State.

Xiao S, Ibrahim MT, Verkhivker GM, Zoltowski BD, Tao P. Xiao S, et al. Among authors: verkhivker gm. bioRxiv [Preprint]. 2023 Dec 23:2023.12.22.573121. doi: 10.1101/2023.12.22.573121. bioRxiv. 2023. PMID: 38187662 Free PMC article. Preprint.

3

Experimentally guided structural modeling and dynamics analysis of Hsp90-p53 interactions: allosteric regulation of the Hsp90 chaperone by a client protein.

Blacklock K, Verkhivker GM. Blacklock K, et al. Among authors: verkhivker gm. J Chem Inf Model. 2013 Nov 25;53(11):2962-78. doi: 10.1021/ci400434g. Epub 2013 Nov 12. J Chem Inf Model. 2013. PMID: 24191708

4

Allosteric regulation of the Hsp90 dynamics and stability by client recruiter cochaperones: protein structure network modeling.

Blacklock K, Verkhivker GM. Blacklock K, et al. Among authors: verkhivker gm. PLoS One. 2014 Jan 20;9(1):e86547. doi: 10.1371/journal.pone.0086547. eCollection 2014. PLoS One. 2014. PMID: 24466147 Free PMC article.

5

Leveraging Structural Diversity and Allosteric Regulatory Mechanisms of Protein Kinases in the Discovery of Small Molecule Inhibitors.

Verkhivker GM. Verkhivker GM. Curr Med Chem. 2017;24(42):4838-4872. doi: 10.2174/0929867323666161006113418. Curr Med Chem. 2017. PMID: 27719654 Review.

6

Atomistic simulations and network-based modeling of the Hsp90-Cdc37 chaperone binding with Cdk4 client protein: A mechanism of chaperoning kinase clients by exploiting weak spots of intrinsically dynamic kinase domains.

Czemeres J, Buse K, Verkhivker GM. Czemeres J, et al. Among authors: verkhivker gm. PLoS One. 2017 Dec 21;12(12):e0190267. doi: 10.1371/journal.pone.0190267. eCollection 2017. PLoS One. 2017. PMID: 29267381 Free PMC article.

7

Functional Role and Hierarchy of the Intermolecular Interactions in Binding of Protein Kinase Clients to the Hsp90-Cdc37 Chaperone: Structure-Based Network Modeling of Allosteric Regulation.

Stetz G, Verkhivker GM. Stetz G, et al. Among authors: verkhivker gm. J Chem Inf Model. 2018 Feb 26;58(2):405-421. doi: 10.1021/acs.jcim.7b00638. Epub 2018 Feb 15. J Chem Inf Model. 2018. PMID: 29432007

8

Exploring Mechanisms of Communication Switching in the Hsp90-Cdc37 Regulatory Complexes with Client Kinases through Allosteric Coupling of Phosphorylation Sites: Perturbation-Based Modeling and Hierarchical Community Analysis of Residue Interaction Networks.

Stetz G, Astl L, Verkhivker GM. Stetz G, et al. Among authors: verkhivker gm. J Chem Theory Comput. 2020 Jul 14;16(7):4706-4725. doi: 10.1021/acs.jctc.0c00280. Epub 2020 Jun 14. J Chem Theory Comput. 2020. PMID: 32492340

9

Allosteric Mechanism of the Hsp90 Chaperone Interactions with Cochaperones and Client Proteins by Modulating Communication Spines of Coupled Regulatory Switches: Integrative Atomistic Modeling of Hsp90 Signaling in Dynamic Interaction Networks.

Astl L, Stetz G, Verkhivker GM. Astl L, et al. Among authors: verkhivker gm. J Chem Inf Model. 2020 Jul 27;60(7):3616-3631. doi: 10.1021/acs.jcim.0c00380. Epub 2020 Jun 18. J Chem Inf Model. 2020. PMID: 32519853

10

Dissecting Molecular Principles of the Hsp90 Chaperone Regulation by Allosteric Modulators Using a Hierarchical Simulation Approach and Network Modeling of Allosteric Interactions: Conformational Selection Dictates the Diversity of Protein Responses and Ligand-Specific Functional Mechanisms.

Astl L, Stetz G, Verkhivker GM. Astl L, et al. Among authors: verkhivker gm. J Chem Theory Comput. 2020 Oct 13;16(10):6656-6677. doi: 10.1021/acs.jctc.0c00503. Epub 2020 Sep 28. J Chem Theory Comput. 2020. PMID: 32941034

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