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Machine Learning Directed Optimization of Classical Molecul..:

Bridgette J. Befort (11284278) ; Ryan S. DeFever (1624855) ; Garrett M. Tow (3688768)..
https://figshare.com/articles/journal_contribution/Machine_Learning_Directed_Optimization_of_Classical_Molecular_Modeling_Force_Fields/15179976. , 2021

Link: https://doi.org/10.1021/acs.jcim.1c00448.s001

RT Journal
T1 <Title>Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_15179976&Exemplar=1&LAN=DE
				
A1 Bridgette J. Befort (11284278)
A1 Ryan S. DeFever (1624855)
A1 Garrett M. Tow (3688768)
A1 Alexander W. Dowling (5462699)
A1 Edward J. Maginn (1268100)
YR 2021
K1 Biophysics
K1 Medicine
K1 Genetics
K1 Biotechnology
K1 Cancer
K1 Plant Biology
K1 Computational Biology
K1 Biological Sciences not elsewhere classified
K1 Mathematical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 force field parameter sets
K1 force fields
K1 HFC
K1 multiobjective optimization workflow
K1 VLE
K1 Classical Molecular Modeling Force
K1 force field parametrization
K1 AP
K1 low-error parameter sets
K1 force field optimization workflow
K1 simulation
JF https://figshare.com/articles/journal_contribution/Machine_Learning_Directed_Optimization_of_Classical_Molecular_Modeling_Force_Fields/15179976
LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.1c00448.s001
DO https://doi.org/10.1021/acs.jcim.1c00448.s001
SF ELIB - SuUB Bremen

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