Virtual‐system‐coupled adaptive umbrella sampling to compute free‐energy landscape for flexible molecular docking

Publisher： John Wiley & Sons Inc

E-ISSN： 1096-987x|36|20|1489-1501

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.20, 2015-07, pp. : 1489-1501

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