Ligand-mediated conformation diversity of Hsp90 revealed by GaMD simulations and Markov model
Huayin Bao, Jian Wang, Lu Zhao, Jian‐Zhong Chen
Topics & Concepts
Markov chainConformational ensemblesChemistryMolecular dynamicsHsp90Function (biology)Helix (gastropod)Biological systemGaussianGaussian network modelConformational changeBiophysicsMarkov modelTransition (genetics)Statistical physicsProtein structureMolecular conformationSequence (biology)Work (physics)Principal component analysisMolecular modelStereochemistryPlasma protein bindingComputational chemistryConformational isomerismHeat shock proteins researchProtein Structure and DynamicsEnzyme Structure and Function