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1 Ergebnisse
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Machine-Learning-Assisted Free Energy Simulation of Solutio..:
Pan, Xiaoliang
;
Yang, Junjie
;
Van, Richard
...
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5745-5758 , 2021
Link:
https://doi.org/10.1021/acs.jctc.1c00565
RT Journal T1 <Title>Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c00565&Exemplar=1&LAN=DE A1 Pan, Xiaoliang A1 Yang, Junjie A1 Van, Richard A1 Epifanovsky, Evgeny A1 Ho, Junming A1 Huang, Jing A1 Pu, Jingzhi A1 Mei, Ye A1 Nam, Kwangho A1 Shao, Yihan PB American Chemical Society (ACS) YR 2021 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 17 IS 9 SP 5745 OP 5758 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00565 DO https://doi.org/10.1021/acs.jctc.1c00565 SF ELIB - SuUB Bremen
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