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1 Ergebnisse
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Implementation of the QUBE Force Field in SOMD for High-Thr..:
Nelson, Lauren
;
Bariami, Sofia
;
Ringrose, Chris
...
Journal of Chemical Information and Modeling. 61 (2021) 5 - p. 2124-2130 , 2021
Link:
https://doi.org/10.1021/acs.jcim.1c00328
RT Journal T1 <Title>Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.1c00328&Exemplar=1&LAN=DE A1 Nelson, Lauren A1 Bariami, Sofia A1 Ringrose, Chris A1 Horton, Joshua T. A1 Kurdekar, Vadiraj A1 Mey, Antonia S. J. S. A1 Michel, Julien A1 Cole, Daniel J. PB American Chemical Society (ACS) YR 2021 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 61 IS 5 SP 2124 OP 2130 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00328 DO https://doi.org/10.1021/acs.jcim.1c00328 SF ELIB - SuUB Bremen
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