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

Kadaoluwa Pathirannahalage, SP; Meftahi, N; Elbourne, A; Weiss, ACG; McConville, CF; Padua, A; Winkler, DA; Costa Gomes, M; Greaves, TL; Le, TC; Besford, QA; Christofferson, AJ

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

journal contribution

posted on 2024-06-05, 04:11 authored by SP Kadaoluwa Pathirannahalage, N Meftahi, A Elbourne, ACG Weiss, CF McConville, A Padua, DA Winkler, M Costa Gomes, TL Greaves, TC Le, QA Besford, AJ Christofferson

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

History

Journal

Journal of Chemical Information and Modeling

Volume

61

Pagination

4521-4536

Location

United States

ISSN

1549-9596

eISSN

1549-960X

Language

English

Author URL

http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000703339100036&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=a045e4b2bb1f2b747c68c720ec8913b7

Publication classification

C1 Refereed article in a scholarly journal

Issue

9

Publisher

AMER CHEMICAL SOC

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

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