Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew; Eun Jung Choi; Richard Bonneau; Brian Kuhlman

doi:10.1371/journal.pone.0032637

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Peer-reviewed

Research Article

Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew,

Affiliations Department of Biology, Center for Genomics and Systems Biology, New York University, New York, New York, United States of America, Courant Institute for Mathematical Sciences, Department of Computer Science, New York, New York, United States of America
⨯
Eun Jung Choi,

Affiliation Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America
⨯
Richard Bonneau,

Affiliations Department of Biology, Center for Genomics and Systems Biology, New York University, New York, New York, United States of America, Courant Institute for Mathematical Sciences, Department of Computer Science, New York, New York, United States of America
⨯
Brian Kuhlman

* E-mail: bkuhlman@email.unc.edu

Affiliation Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America
⨯

Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew,
Eun Jung Choi,
Richard Bonneau,
Brian Kuhlman

Published: March 14, 2012
https://doi.org/10.1371/journal.pone.0032637

About the Authors

P. Douglas Renfrew

Affiliations Department of Biology, Center for Genomics and Systems Biology, New York University, New York, New York, United States of America, Courant Institute for Mathematical Sciences, Department of Computer Science, New York, New York, United States of America

Eun Jung Choi

Affiliation Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Richard Bonneau

Brian Kuhlman

* E-mail: bkuhlman@email.unc.edu

Affiliation Department of Biochemistry and Biophysics, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, United States of America

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: PDR EJC BK. Performed the experiments: PDR EJC. Analyzed the data: PDR RB BK. Contributed reagents/materials/analysis tools: PDR EJC BK. Wrote the paper: PDR RB BK.

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Protein structure
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Dihedral angles
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Hydrogen bonding
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Leucine
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Macromolecular design
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Molecular mechanics
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Phenylalanine
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Crystal structure
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