期刊论文详细信息
CHIMIA
Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS
Benjamin Ries1  Sereina Riniker1  Candide Champion1  Philippe H. Hünenberger1  Salomé R. Rieder1  Emilia P. Barros1 
[1] Laboratory of Physical Chemistry, ETH Zurich, Vladimir-Prelog-Weg 2, CH-8092 Zurich;
关键词: Computational Chemistry;    Free Energy;    RE-EDS;   
DOI  :  10.2533/chimia.2022.327
来源: DOAJ
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