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    • Alice Allen

    4 results in Alice Allen in Authors: Alice Allen

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

    Linear Atomic Cluster Expansion Force Fields for Organic Molecules: beyond RMSE

    , Authors: David Peter Kovacs, Cas van der Oord, Jiri Kucera, Alice Allen, Daniel Cole, Christoph Ortner, Gabor Csanyi

    1,203
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Development and Validation of the QUBE Protein Force Field

    , Authors: Alice Allen, Michael J. Robertson, Michael C. Payne, Daniel Cole

    1,296
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics

    , Authors: Joshua Horton, Alice Allen, Leela Dodda, Daniel Cole

    1,430
    Downloads
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    Modelling Flexible Protein-Ligand Binding in p38α MAP Kinase using the QUBE Force Field

    , Authors: Joshua Horton, Alice Allen, Daniel Cole

    402
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