Computational modeling of allosteric regulation in the hsp90 chaperones: a statistical ensemble analysis of protein structure networks and allosteric communications.
A fundamental role of the Hsp90 chaperone in regulating functional activity of diverse protein clients is essential for the integrity of signaling networks. In this work we have combined biophysical simulations of the Hsp90 crystal structures with the protein structure network analysis to characteri...
Main Authors: | Kristin Blacklock, Gennady M Verkhivker |
---|---|
Format: | Article |
Language: | English |
Published: |
Public Library of Science (PLoS)
2014-06-01
|
Series: | PLoS Computational Biology |
Online Access: | http://europepmc.org/articles/PMC4055421?pdf=render |
Similar Items
-
Structural Bioinformatics and Protein Docking Analysis of the Molecular Chaperone-Kinase Interactions: Towards Allosteric Inhibition of Protein Kinases by Targeting the Hsp90-Cdc37 Chaperone Machinery
by: Gennady Verkhivker, et al.
Published: (2013-11-01) -
Differential modulation of functional dynamics and allosteric interactions in the Hsp90-cochaperone complexes with p23 and Aha1: a computational study.
by: Kristin Blacklock, et al.
Published: (2013-01-01) -
Ensemble-based modeling and rigidity decomposition of allosteric interaction networks and communication pathways in cyclin-dependent kinases: Differentiating kinase clients of the Hsp90-Cdc37 chaperone.
by: Gabrielle Stetz, et al.
Published: (2017-01-01) -
Dancing through Life: Molecular Dynamics Simulations and Network-Centric Modeling of Allosteric Mechanisms in Hsp70 and Hsp110 Chaperone Proteins.
by: Gabrielle Stetz, et al.
Published: (2015-01-01) -
Accurate Characterization of Binding Kinetics and Allosteric Mechanisms for the HSP90 Chaperone Inhibitors Using AI-Augmented Integrative Biophysical Studies
by: Chao Xu, et al.
Published: (2024-04-01)