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Replica-Exchange Enveloping Distribution Sampling Using Gen..:
Rieder, Salomé R.
;
Ries, Benjamin
;
Schaller, Kay
...
Journal of Chemical Information and Modeling. 62 (2022) 12 - p. 3043-3056 , 2022
Link:
https://doi.org/10.1021/acs.jcim.2c00383
RT Journal T1 <Title>Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.2c00383&Exemplar=1&LAN=DE A1 Rieder, Salomé R. A1 Ries, Benjamin A1 Schaller, Kay A1 Champion, Candide A1 Barros, Emilia P. A1 Hünenberger, Philippe H. A1 Riniker, Sereina PB American Chemical Society (ACS) YR 2022 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 62 IS 12 SP 3043 OP 3056 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.2c00383 DO https://doi.org/10.1021/acs.jcim.2c00383 SF ELIB - SuUB Bremen
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