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Research Article

Structural Heterogeneity and Quantitative FRET Efficiency Distributions of Polyprolines through a Hybrid Atomistic Simulation and Monte Carlo Approach

  • Martin Hoefling,

    Affiliation: Theoretical and Computational Biophysics Department, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

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  • Nicola Lima,

    Affiliation: Theoretical and Computational Biophysics Department, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

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  • Dominik Haenni,

    Affiliation: Department of Biochemistry, University of Zurich, Zurich, Switzerland

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  • Claus A. M. Seidel,

    Affiliation: Institute of Molecular Physical Chemistry (MPC), Heinrich Heine University, Düsseldorf, Germany

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  • Benjamin Schuler,

    Affiliation: Department of Biochemistry, University of Zurich, Zurich, Switzerland

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  • Helmut Grubmüller mail

    hgrubmu@gwdg.de

    Affiliation: Theoretical and Computational Biophysics Department, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany

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  • Published: May 24, 2011
  • DOI: 10.1371/journal.pone.0019791

About the Authors

Martin Hoefling, Nicola Lima, Helmut Grubmüller
Theoretical and Computational Biophysics Department, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany
Dominik Haenni, Benjamin Schuler
Department of Biochemistry, University of Zurich, Zurich, Switzerland
Claus A. M. Seidel
Institute of Molecular Physical Chemistry (MPC), Heinrich Heine University, Düsseldorf, Germany

Corresponding Author

Email: hgrubmu@gwdg.de

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: MH NL BS CAMS HG. Performed the experiments: MH NL BS HG DH. Analyzed the data: MH NL BS. Contributed reagents/materials/analysis tools: MH NL BS CAMS HG DH. Wrote the paper: MH NL BS CAMS HG.