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Research Article

Generalized Fragment Picking in Rosetta: Design, Protocols and Applications

  • Dominik Gront mail,

    dgront@chem.uw.edu.pl

    Affiliation: Faculty of Chemistry, University of Warsaw, Warsaw, Poland

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  • Daniel W. Kulp,

    Affiliation: Los Alamos National Laboratory, Bioscience Division, Los Alamos, New Mexico, United States of America

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  • Robert M. Vernon,

    Affiliation: Program in Molecular Structure and Function, Hospital For Sick Children, Toronto, Canada

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  • Charlie E. M. Strauss,

    Affiliation: Los Alamos National Laboratory, Bioscience Division, Los Alamos, New Mexico, United States of America

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  • David Baker

    Affiliation: Department of Biochemistry, Howard Hughes Medical Institute, University of Washington, Seattle, Washington, United States of America

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  • Published: August 24, 2011
  • DOI: 10.1371/journal.pone.0023294
  • Published in PLOS ONE

About the Authors

Dominik Gront
Faculty of Chemistry, University of Warsaw, Warsaw, Poland
Daniel W. Kulp, Charlie E. M. Strauss
Los Alamos National Laboratory, Bioscience Division, Los Alamos, New Mexico, United States of America
Robert M. Vernon
Program in Molecular Structure and Function, Hospital For Sick Children, Toronto, Canada
David Baker
Department of Biochemistry, Howard Hughes Medical Institute, University of Washington, Seattle, Washington, United States of America

Corresponding Author

Email: dgront@chem.uw.edu.pl

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: DG RMV DWK DB CEMS. Performed the experiments: DG RMV DWK. Analyzed the data: DG RMV DWK. Wrote the paper: DG. The original nnmake program: CEMS. Helped with writing the manuscript: DWK RMV CEMS DB.