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1 Ergebnisse
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Open Force Field BespokeFit: Automating Bespoke Torsion Par..:
Horton, Joshua T.
;
Boothroyd, Simon
;
Wagner, Jeffrey
...
Journal of Chemical Information and Modeling. 62 (2022) 22 - p. 5622-5633 , 2022
Link:
https://doi.org/10.1021/acs.jcim.2c01153
RT Journal T1 <Title>Open Force Field BespokeFit: Automating Bespoke Torsion Parametrization at Scale</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jcim.2c01153&Exemplar=1&LAN=DE A1 Horton, Joshua T. A1 Boothroyd, Simon A1 Wagner, Jeffrey A1 Mitchell, Joshua A. A1 Gokey, Trevor A1 Dotson, David L. A1 Behara, Pavan Kumar A1 Ramaswamy, Venkata Krishnan A1 Mackey, Mark A1 Chodera, John D. A1 Anwar, Jamshed A1 Mobley, David L. A1 Cole, Daniel J. PB American Chemical Society (ACS) YR 2022 SN 1549-9596 SN 1549-960X JF Journal of Chemical Information and Modeling VO 62 IS 22 SP 5622 OP 5633 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.2c01153 DO https://doi.org/10.1021/acs.jcim.2c01153 SF ELIB - SuUB Bremen
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