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    • Antonia Mey

    3 results in Antonia Mey in Authors: Antonia Mey

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

    Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free Energy Calculations

    , Authors: Lauren Nelson, Sofia Bariami, Chris Ringrose, Joshua Horton, Vadiraj Kurdekar, Antonia Mey, Julien Michel, Daniel Cole

    709
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Automated Assessment of Binding Affinity via Alchemical Free Energy Calculations

    , Authors: Maximilian Kuhn, Stuart Firth-Clark, Paolo Tosco, Antonia S. J. S. Mey, Mark Mackey, Julien Michel

    967
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    A Hybrid Alchemical Free Energy and Machine Learning Methodology for the Calculation of Absolute Hydration Free Energies of Small Molecules

    , Authors: Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel

    632
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