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1 Ergebnisse
1
Improving Speed and Affordability without Compromising Accu..:
Blazhynska, Marharyta
;
Goulard Coderc de Lacam, Emma
;
Chen, Haochuan
.
Journal of Chemical Theory and Computation. 19 (2023) 11 - p. 3091-3101 , 2023
Link:
https://doi.org/10.1021/acs.jctc.3c00141
RT Journal T1
Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning
UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.3c00141&Exemplar=1&LAN=DE A1 Blazhynska, Marharyta A1 Goulard Coderc de Lacam, Emma A1 Chen, Haochuan A1 Chipot, Christophe PB American Chemical Society (ACS) YR 2023 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 19 IS 11 SP 3091 OP 3101 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.3c00141 DO https://doi.org/10.1021/acs.jctc.3c00141 SF ELIB - SuUB Bremen
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