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Research Article

A Kinetic Model of Trp-Cage Folding from Multiple Biased Molecular Dynamics Simulations

  • Fabrizio Marinelli,

    Affiliations: International School for Advanced Studies (SISSA-ISAS) and DEMOCRITOS, Trieste, Italy, Italian Institute of Technology (IIT), Trieste, Italy

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  • Fabio Pietrucci,

    Affiliation: International School for Advanced Studies (SISSA-ISAS) and DEMOCRITOS, Trieste, Italy

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  • Alessandro Laio mail,

    laio@sissa.it

    Affiliation: International School for Advanced Studies (SISSA-ISAS) and DEMOCRITOS, Trieste, Italy

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  • Stefano Piana

    Affiliation: Nanochemistry Research Institute, Curtin University of Technology, Perth, Western Australia, Australia

    Current address: DE Shaw Research, New York, New York, United States of America

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  • Published: August 07, 2009
  • DOI: 10.1371/journal.pcbi.1000452

About the Authors

Fabrizio Marinelli, Fabio Pietrucci, Alessandro Laio
International School for Advanced Studies (SISSA-ISAS) and DEMOCRITOS, Trieste, Italy
Fabrizio Marinelli
Italian Institute of Technology (IIT), Trieste, Italy
Stefano Piana
Nanochemistry Research Institute, Curtin University of Technology, Perth, Western Australia, Australia

Corresponding Author

Email: laio@sissa.it

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Improved the method for calculating the clusters free energies: FM FP AL. Conceived the kinetic model: FM. Designed the kinetic model: AL SP. Improved the kinetic model: FM FP. Designed the method to perform the simulated T-jump experiment: SP. Produced most of the results and their interpretation: FM. Analyzed the data: FP AL SP. Discussed the results: FM FP AL SP. Wrote the manuscript: FM FP AL SP.