Probing Allosteric Inhibition Mechanisms of the Hsp70 Chaperone Proteins Using Molecular Dynamics Simulations and Analysis of the Residue Interaction Networks. - Gabrielle Stetz; Gennady M. Verkhivker (J. Chem. Inf. Model., 2016)

Computational Analysis of Residue Interaction Networks and Coevolutionary Relationships in the Hsp70 Chaperones: A Community-Hopping Model of Allosteric Regulation and Communication. - Gabrielle Stetz; Gennady M. Verkhivker (PLoS Comput. Biol., 2017)

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. - Gabrielle Stetz; Gennady M. Verkhivker (J. Chem. Inf. Model., 2018)

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. - Lindy Astl; Gabrielle Stetz; Gennady M. Verkhivker (J. Chem. Inf. Model., 2020)