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OPLS4: Improving Force Field Accuracy on Challenging Regime..:

Chao Lu (4374) ; Chuanjie Wu (1441687) ; Delaram Ghoreishi (9500587)...
https://figshare.com/articles/dataset/OPLS4_Improving_Force_Field_Accuracy_on_Challenging_Regimes_of_Chemical_Space/14743734. , 2021

Link: https://doi.org/10.1021/acs.jctc.1c00302.s002

RT Journal
T1 <Title>OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_14743734&Exemplar=1&LAN=DE
				
A1 Chao Lu (4374)
A1 Chuanjie Wu (1441687)
A1 Delaram Ghoreishi (9500587)
A1 Wei Chen (23863)
A1 Lingle Wang (1441657)
A1 Wolfgang Damm (1441690)
A1 Gregory A. Ross (179992)
A1 Markus K. Dahlgren (2465530)
A1 Ellery Russell (9455427)
A1 Christopher D. Von Bargen (10933077)
A1 Robert Abel (1441678)
A1 Richard A. Friesner (1321293)
A1 Edward D. Harder (6420737)
YR 2021
K1 Biophysics
K1 Biochemistry
K1 Genetics
K1 Pharmacology
K1 Biotechnology
K1 Cancer
K1 Space Science
K1 Environmental Sciences not elsewhere classified
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 OPLS 4
K1 novel parametrization strategy
K1 drug-like chemical space
K1 accuracy
K1 Force Field Accuracy
K1 OPLS 4 force field
JF https://figshare.com/articles/dataset/OPLS4_Improving_Force_Field_Accuracy_on_Challenging_Regimes_of_Chemical_Space/14743734
LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00302.s002
DO https://doi.org/10.1021/acs.jctc.1c00302.s002
SF ELIB - SuUB Bremen

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