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1 Ergebnisse
1
End-to-end differentiable construction of molecular mechani..:
Wang, Yuanqing
;
Fass, Josh
;
Kaminow, Benjamin
...
Chemical Science. 13 (2022) 41 - p. 12016-12033 , 2022
Link:
https://doi.org/10.1039/d2sc02739a
RT Journal T1
End-to-end differentiable construction of molecular mechanics force fields
UL https://suche.suub.uni-bremen.de/peid=cr-10.1039_d2sc02739a&Exemplar=1&LAN=DE A1 Wang, Yuanqing A1 Fass, Josh A1 Kaminow, Benjamin A1 Herr, John E. A1 Rufa, Dominic A1 Zhang, Ivy A1 Pulido, Iván A1 Henry, Mike A1 Bruce Macdonald, Hannah E. A1 Takaba, Kenichiro A1 Chodera, John D. PB Royal Society of Chemistry (RSC) YR 2022 SN 2041-6520 SN 2041-6539 JF Chemical Science VO 13 IS 41 SP 12016 OP 12033 LK http://dx.doi.org/https://doi.org/10.1039/d2sc02739a DO https://doi.org/10.1039/d2sc02739a SF ELIB - SuUB Bremen
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