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Replica-Exchange Enveloping Distribution Sampling: Calculation of Relative Free Energies in GROMOS.

Authors :
Rieder, Salomé R.
Ries, Benjamin
Champion, Candide
Barros, Emilia P.
Hünenberger, Philippe H.
Riniker, Sereina
Source :
Chimia; 2022, Vol. 76 Issue 4, p327-330, 4p
Publication Year :
2022

Details

Language :
English
ISSN :
00094293
Volume :
76
Issue :
4
Database :
Complementary Index
Journal :
Chimia
Publication Type :
Academic Journal
Accession number :
156671782
Full Text :
https://doi.org/10.2533/chimia.2022.327