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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

About the Authors

David J. Huggins, Mike C. Payne
TCM Group, Cavendish Laboratory, University of Cambridge, Cambridge, United Kingdom
David J. Huggins, Grahame J. McKenzie, Ana J. Narváez, Bryn Hardwick, Meredith Roberts-Thomson, Ashok R. Venkitaraman, Guy H. Grant, Mike C. Payne
Cambridge Molecular Therapeutics Programme, Hutchison/MRC Research Centre, University of Cambridge, Cambridge, United Kingdom
Daniel D. Robinson
Schrödinger, Camberley, United Kingdom
Guy H. Grant
Unilever Centre for Molecular Informatics, The University Chemical Laboratory, University of Cambridge, Cambridge, United Kingdom

Corresponding Author

Email: djh210@cam.ac.uk

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: DJH GHG. Performed the experiments: DJH DDR AJN BH MRT. Analyzed the data: DJH DDR. Contributed reagents/materials/analysis tools: DDR. Wrote the paper: DJH GJM ARV MCP.