Open AccessQM/MM Molecular Dynamics Simulations Revealed Catalytic Mechanism of Urease
Author(s) -
Tôru Saitô,
Yu Takano
Publication year - 2022
Publication title -
the journal of physical chemistry b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.864
H-Index - 392
eISSN - 1520-6106
pISSN - 1520-5207
DOI - 10.1021/acs.jpcb.1c10200
Subject(s) - chemistry , urease , denticity , active site , molecular dynamics , urea , nucleophile , hydrolysis , molecular mechanics , qm/mm , computational chemistry , catalysis , hydrogen bond , stereochemistry , organic chemistry , molecule , crystal structure
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