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Development and Benchmarking of Open Force Field v1.0.0the..:

Yudong Qiu (1906885) ; Daniel G. A. Smith (11468128) ; Simon Boothroyd (11468131)...
https://figshare.com/articles/journal_contribution/Development_and_Benchmarking_of_Open_Force_Field_v1_0_0_the_Parsley_Small-Molecule_Force_Field/16663714. , 2021

Link: https://doi.org/10.1021/acs.jctc.1c00571.s001

RT Journal
T1 <Title>Development and Benchmarking of Open Force Field v1.0.0the Parsley Small-Molecule Force Field</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_16663714&Exemplar=1&LAN=DE
				
A1 Yudong Qiu (1906885)
A1 Daniel G. A. Smith (11468128)
A1 Simon Boothroyd (11468131)
A1 Hyesu Jang (11468134)
A1 David F. Hahn (9681119)
A1 Jeffrey Wagner (2108986)
A1 Caitlin C. Bannan (5908607)
A1 Trevor Gokey (2008708)
A1 Victoria T. Lim (5908610)
A1 Chaya D. Stern (4278925)
A1 Andrea Rizzi (1845439)
A1 Bryon Tjanaka (11468137)
A1 Gary Tresadern (836509)
A1 Xavier Lucas (400968)
A1 Michael R. Shirts (141621)
A1 Michael K. Gilson (673405)
A1 John D. Chodera (1323594)
A1 Christopher I. Bayly (1515103)
A1 David L. Mobley (1323615)
A1 Lee-Ping Wang (1279797)
YR 2021
K1 Biophysics
K1 Biotechnology
K1 Evolutionary Biology
K1 Computational Biology
K1 Chemical Sciences not elsewhere classified
K1 Physical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 resulting force field
K1 quantum reference data
K1 parameter assignment formalism
K1 molecule force field
K1 minimal human intervention
K1 general force fields
K1 general force field
K1 database software ecosystem
K1 data types outside
K1 classical molecular simulations
K1 binding free energies
K1 tests show improvements
K1 report tests
K1 vibrational frequencies
K1 training set
K1 rapidly optimize
K1 phase structures
K1 parsley '
K1 parsley small
K1 liquid properties
K1 initial application
K1 handles increases
K1 full optimization
K1 forcebalance tool
K1 conformational energetics
K1 codenamed parsley
JF https://figshare.com/articles/journal_contribution/Development_and_Benchmarking_of_Open_Force_Field_v1_0_0_the_Parsley_Small-Molecule_Force_Field/16663714
LK http://dx.doi.org/https://doi.org/10.1021/acs.jctc.1c00571.s001
DO https://doi.org/10.1021/acs.jctc.1c00571.s001
SF ELIB - SuUB Bremen

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