Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model

E-ISSN： 1096-987x|36|28|2114-2124

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.28, 2015-10, pp. : 2114-2124

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