Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations

出版年份 2015 全文链接

标题

作者

关键词

Free energy calculation, Constraint correction, Molecular dynamics simulation, Normal mode analysis, Bennett's acceptance ratio

出版物

Volume 1850, Issue 5, Pages 932-943

出版商

Elsevier BV

发表日期

2014-09-16

DOI

10.1016/j.bbagen.2014.09.001

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