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Molecular Dynamics with Very Large Time Steps for the Calculation of Solvation Free Energies.

Authors :
Abreu, Charlles R. A.
Tuckerman, Mark E.
Source :
Journal of Chemical Theory & Computation; 12/8/2020, Vol. 16 Issue 12, p7314-7327, 14p
Publication Year :
2020

Details

Language :
English
ISSN :
15499618
Volume :
16
Issue :
12
Database :
Supplemental Index
Journal :
Journal of Chemical Theory & Computation
Publication Type :
Academic Journal
Accession number :
147520191
Full Text :
https://doi.org/10.1021/acs.jctc.0c00698