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Validating the CHARMM36m protein force field with LJ-PME reveals altered hydrogen bonding dynamics under elevated pressures

Xu, Y; Huang, J

Huang, J (corresponding author), Westlake Univ, Sch Life Sci, Key Lab Struct Biol Zhejiang Prov, Hangzhou, Zhejiang, Peoples R China.; Huang, J (corresponding author), Westlake Lab Life Sci & Biomed, Westlake AI Therapeut Lab, Hangzhou, Zhejiang, Peoples R China.; Huang, J (corresponding author), Westlake Inst Adv Study, Inst Biol, Hangzhou, Zhejiang, Peoples R China.

COMMUNICATIONS CHEMISTRY, 2021; 4 (1):

Abstract

The pressure-temperature phase diagram is important to our understanding of the physics of biomolecules. Compared to studies on temperature effects, s......

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