Alchemical Free Energy Differences in Flexible Molecules...

Journal of Chemical Theory and Computation 2012 / 10 Vol. 8; Iss. 10

Alchemical Free Energy Differences in Flexible Molecules from Thermodynamic Integration or Free Energy Perturbation Combined with Driven Adiabatic Dynamics

Cuendet, Michel A., Tuckerman, Mark E.
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Volume:
8
Language:
english
Pages:
9
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300090z
Date:
October, 2012
File:
PDF, 1.85 MB
english, 2012
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