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Article Dans Une Revue Journal of Chemical Information and Modeling Année : 2021

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

Nastaran Meftahi
Aaron Elbourne
Alessia Weiss
Chris Mcconville
Agílio Pádua
David Winkler
Tu Le
Quinn Besford
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Dates et versions

hal-03365766 , version 1 (05-10-2021)

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Sachini Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia Weiss, Chris Mcconville, et al.. Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations. Journal of Chemical Information and Modeling, 2021, 61 (9), pp.4521-4536. ⟨10.1021/acs.jcim.1c00794⟩. ⟨hal-03365766⟩
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