Elucidating molecular mechanisms of functional conformational changes of proteins via Markov state models

Wang, XW; Unarta, IC; Cheung, PPH; Huang, XH

Huang, XH (corresponding author), Hong Kong Univ Sci & Technol, Shenzhen Res Inst, Hitech Pk, Shenzhen 518057, Peoples R China.; Huang, XH (corresponding author), Hong Kong Univ Sci & Technol, Ctr Syst Biol & Human Hlth, Dept Chem, State Key Lab Mol Neurosci,Kowloon, Hong Kong, Peoples R China.; Huang, XH (corresponding author), Hong Kong Univ Sci & Technol, Bioengn Grad Program, Kowloon, Hong Kong, Peoples R China.

CURRENT OPINION IN STRUCTURAL BIOLOGY, 2021; 67 (): 69

Abstract

Functional conformational changes of proteins can facilitate numerous biological events in cells. The Markov state model (MSM) built from molecular dy......

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