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1 Ergebnisse
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Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effect..:
Lagardère, Louis
;
Maurin, Lise
;
Adjoua, Olivier
...
Journal of Chemical Theory and Computation. 20 (2024) 11 - p. 4481-4498 , 2024
Link:
https://doi.org/10.1021/acs.jctc.3c01249
RT Journal T1 <Title>Lambda-ABF: Simplified, Portable, Accurate, and Cost-Effective Alchemical Free-Energy Computation</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c01249&Exemplar=1&LAN=DE A1 Lagardère, Louis A1 Maurin, Lise A1 Adjoua, Olivier A1 El Hage, Krystel A1 Monmarché, Pierre A1 Piquemal, Jean-Philip A1 Hénin, Jérôme PB American Chemical Society (ACS) YR 2024 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 20 IS 11 SP 4481 OP 4498 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c01249 DO https://doi.org/10.1021/acs.jctc.3c01249 SF ELIB - SuUB Bremen
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