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 |
【 授权许可】
Unknown