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Research Article

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

  • David J. Huggins mail,

    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

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  • Grahame J. McKenzie,

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

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  • Daniel D. Robinson,

    Affiliation: Schrödinger, Camberley, United Kingdom

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  • Ana J. Narváez,

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

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  • Bryn Hardwick,

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

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  • Meredith Roberts-Thomson,

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

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  • Ashok R. Venkitaraman,

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

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  • 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

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  • 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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  • Published: August 12, 2010
  • DOI: 10.1371/journal.pcbi.1000880

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