Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition
出版年份 2022 全文链接
标题
Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 18, Issue 4, Pages 2530-2542
出版商
American Chemical Society (ACS)
发表日期
2022-03-01
DOI
10.1021/acs.jctc.1c00714
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