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1 Ergebnisse
1
GLOW: A Workflow Integrating Gaussian-Accelerated Molecular..:
Do, Hung N.
;
Wang, Jinan
;
Bhattarai, Apurba
.
Journal of Chemical Theory and Computation. 18 (2022) 3 - p. 1423-1436 , 2022
Link:
https://doi.org/10.1021/acs.jctc.1c01055
RT Journal T1 <Title>GLOW: A Workflow Integrating Gaussian-Accelerated Molecular Dynamics and Deep Learning for Free Energy Profiling</Title> UL https://suche.suub.uni-bremen.de/peid=cr-10.1021_acs.jctc.1c01055&Exemplar=1&LAN=DE A1 Do, Hung N. A1 Wang, Jinan A1 Bhattarai, Apurba A1 Miao, Yinglong PB American Chemical Society (ACS) YR 2022 SN 1549-9618 SN 1549-9626 JF Journal of Chemical Theory and Computation VO 18 IS 3 SP 1423 OP 1436 LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c01055 DO https://doi.org/10.1021/acs.jctc.1c01055 SF ELIB - SuUB Bremen
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