Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

Pathirannahalage, Sachini P Kadaoluwa; Meftahi, Nastaran; Elbourne, Aaron; Weiss, Alessia CG; McConville, Chris F; Padua, Agilio; Winkler, David; Gomes, Margarida Costa; Greaves, Tamar L; Le, Tu C; Besford, Quinn A; Christofferson, Andrew J

doi:10.26181/6191a4d40349c

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Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

journal contribution

posted on 2021-11-15, 00:07 authored by Sachini P Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia CG Weiss, Chris F McConville, Agilio Padua, David WinklerDavid Winkler, Margarida Costa Gomes, Tamar L Greaves, Tu C Le, Quinn A Besford, Andrew J Christofferson

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History

Publication Date

2021-08-18

Journal

Journal of Chemical Information and Modeling

Volume

61

Article Number

1c00794

Pagination

16p. (p4521-4536)

Publisher

American Chemical Society (ACS)

ISSN

1549-9596

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