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    • Solvent structure
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    3 results in Solvent structure in Keywords: Solvent structure

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

    , Authors: Sachini P. Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia C. G. Weiss, Chris F. McConville, Agilio Padua, David A. Winkler, Margarida Costa Gomes, Tamar L. Greaves, Quinn A. Besford, Tu C. Le, Andrew J. Christofferson
    Version 1 posted 06 July 2021
    4,384
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Redox Properties of Flavin in BLUF and LOV Photoreceptor Proteins from Hybrid QM/MM Molecular Dynamics Simulation

    , Authors: Murat Kılıç, Bernd Ensing
    Version 1 posted 14 September 2023
    217
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Effect of Water On Deep Eutectic Solvents: Structural Properties and Interactions with CO2

    , Authors: Sanchari Bhattacharjee, Rachel Getman
    Version 1 posted 06 October 2023
    447
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