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    • Helen Deeks

    3 results in Helen Deeks in Authors: Helen Deeks

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

    Interactive Molecular Dynamics in Virtual Reality (iMD-VR) Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease

    , Authors: Helen Deeks, Rebecca Walters, Jonathan Barnoud, David Glowacki, Adrian Mulholland

    582
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Virtual reality sampled pathways guide free energy calculation of protein-ligand binding

    , Authors: Helen Deeks, Kirill Zinovjev, Jonathan Barnoud, Adrian Mulholland, Marc van der Kamp, David Glowacki

    169
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Teaching Enzyme Catalysis Using an Open Source Framework for Interactive Molecular Dynamics in Virtual Reality

    , Authors: Simon Bennie, Kara Ranaghan, Helen Deeks, Heather Goldsmith, Mike O'Connor, Adrian Mulholland, David Glowacki

    956
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