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    • Marc van der Kamp

    9 results in Authors: Marc van der Kamp

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

    Multiscale simulations identify origins of differential carbapenem hydrolysis by the OXA-48 β-lactamase

    , Authors: Viivi Hirvonen, Tal Moshe Weizmann, Adrian Mulholland, James Spencer, Marc van der Kamp
    262
    Downloads
    1
    Citations
    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
    246
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Enlighten2: Molecular Dynamics Simulations of Protein-Ligand Systems Made Accessible

    , Authors: Kirill Zinovjev, Marc W. van der Kamp
    1,763
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases

    , Authors: Viivi H. A. Hirvonen, Katharine Hammond, Ewa I. Chudyk, Michael A. L. Limb, James Spencer, Adrian Mulholland, Marc W. van der Kamp
    427
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Catalytic Mechanism of the Colistin Resistance Protein MCR-1

    , Authors: Reynier Suardiaz, Emily Lythell, Philip Hinchliffed, Marc van der Kamp, James Spencer, Natalie Fey, Adrian Mulholland
    245
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Small Changes in Hydration Determine Cephalosporinase Activity of OXA-48 β-Lactamases

    , Authors: Viivi H. A. Hirvonen, Adrian Mulholland, James Spencer, Marc W. van der Kamp
    446
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Unpicking the Cause of Stereoselectivity in Actinorhodin Ketoreductase Variants with Atomistic Simulations

    , Authors: Stefano Artin Serapian, Marc van der Kamp
    641
    Downloads
    Category: Catalysis
    ,
    Working Paper
    , Title:

    The Path to Actinorhodin: Regio- and Stereoselective Ketone Reduction by a Type II Polyketide Ketoreductase Revealed in Atomistic Detail

    , Authors: Stefano Artin Serapian, John Crosby, Matthew P. Crump, Marc W. van der Kamp
    345
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases

    , Authors: Rory Crean, Michal Biler, Marc van der Kamp, Alvan C. Hengge, Shina Caroline Lynn Kamerlin
    566
    Downloads