Elucidating molecular mechanisms of functional conformational changes of proteins via Markov state models
Xiaowei Wang, Ilona Christy Unarta, Peter Pak‐Hang Cheung, Xuhui Huang
Topics & Concepts
Computational biologyMarkov chainMolecular dynamicsConformational ensemblesComputer scienceChemistryBiological systemBiologyMachine learningComputational chemistryProtein Structure and DynamicsGABA and Rice ResearchMass Spectrometry Techniques and Applications