Constant pH Replica Exchange Molecular Dynamics in Explicit Solvent Using Discrete Protonation States: Implementation, Testing, and Validation

出版年份 2014 全文链接

标题

作者

关键词

出版物

Volume 10, Issue 3, Pages 1341-1352

出版商

American Chemical Society (ACS)

发表日期

2014-02-06

DOI

10.1021/ct401042b

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