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1 Ergebnisse
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An Alternative to Conventional λ-Intermediate States in Alc..:
König, Gerhard
;
Glaser, Nina
;
Schroeder, Benjamin
...
Journal of Chemical Information and Modeling. 60 (2020) 11 - p. 5407-5423 , 2020
Link:
https://doi.org/10.1021/acs.jcim.0c00520
RT Journal T1 <Title>An Alternative to Conventional λ-Intermediate States in Alchemical Free Energy Calculations: λ-Enveloping Distribution Sampling</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.0c00520&Exemplar=1&LAN=DE A1 König, Gerhard A1 Glaser, Nina A1 Schroeder, Benjamin A1 Kubincová, Alžbeta A1 Hünenberger, Philippe H. A1 Riniker, Sereina PB American Chemical Society (ACS) YR 2020 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 60 IS 11 SP 5407 OP 5423 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.0c00520 DO https://doi.org/10.1021/acs.jcim.0c00520 SF ELIB - SuUB Bremen
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