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

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

Journal of chemical information and modeling, 2021-09, Vol.61 (9), p.4521-4536 [Periódico revisado por pares]

Washington: American Chemical Society

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