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Computational Analysis of Phosphopeptide Binding to the Polo-Box Domain of the Mitotic Kinase PLK1 Using Molecular Dynamics Simulation

  • David J. Huggins ,

    djh210@cam.ac.uk

    Affiliations TCM Group, Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom, Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Grahame J. McKenzie,

    Affiliation Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Daniel D. Robinson,

    Affiliation Schrödinger, Camberley, United Kingdom

  • Ana J. Narváez,

    Affiliation Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Bryn Hardwick,

    Affiliation Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Meredith Roberts-Thomson,

    Affiliation Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Ashok R. Venkitaraman,

    Affiliation Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

  • Guy H. Grant,

    Affiliations Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom, Unilever Centre for Molecular Informatics, The University Chemical Laboratory, University of Cambridge, Cambridge, United Kingdom

  • Mike C. Payne

    Affiliations TCM Group, Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom, Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom

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