Replica state exchange metadynamics for improving the convergence of free energy estimates

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|36|19|1446-1455

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.19, 2015-07, pp. : 1446-1455

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Abstract