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Persistent URL	http://purl.org/net/epubs/work/40149728
Record Status	Checked
Record Id	40149728
Title	Reproducibility of Free Energy Calculations across Different Molecular Simulation Software Packages
Contributors	HH Loeffler (STFC Daresbury Lab.), S Bosisio (EaStCHEM School of Chemistry), G Duarte Ramos Matos (Department of Chemistry), D Suh (University of Chicago), B Roux (University of Chicago), DL Mobley (Departments of Pharmaceutical Sciences and Chemistry), J Michel (EaStCHEM School of Chemistry)
Abstract
Organisation	STFC , SCI-COMP
Keywords
Funding Information	MPS/CHE (CHE 1352608); Royal Society; NSF MCB (MCB-1517221); European Research Council, FP7 Ideas (336289); Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (BEX 3932-13-3)
Related Research Object(s):
Licence Information:
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	J Chem Theory Comput 14, no. 11 (2018): 5567-5582.	doi:10.1021/acs.jctc.8b00544		2018

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