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Open Access

Peer-reviewed

Research Article

Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein Interactions

Andrea Bazzoli ,

Contributed equally to this work with: Andrea Bazzoli, Simon P. Kelow

Affiliation Center for Computational Biology, University of Kansas, 2030 Becker Dr., Lawrence, Kansas, 66045–7534, United States of America
⨯
Simon P. Kelow ,

Contributed equally to this work with: Andrea Bazzoli, Simon P. Kelow

Affiliation Center for Computational Biology, University of Kansas, 2030 Becker Dr., Lawrence, Kansas, 66045–7534, United States of America
⨯
John Karanicolas

* E-mail: johnk@ku.edu

Affiliations Center for Computational Biology, University of Kansas, 2030 Becker Dr., Lawrence, Kansas, 66045–7534, United States of America, Department of Molecular Biosciences, University of Kansas, 2030 Becker Dr., Lawrence, Kansas, 66045–7534, United States of America
⨯

Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein Interactions

Andrea Bazzoli,
Simon P. Kelow,
John Karanicolas

x

Published: October 20, 2015
https://doi.org/10.1371/journal.pone.0140359

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Protein interactions
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Protein structure
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Protein-protein interactions
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Solvation
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Hydrogen bonding
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Crystal structure
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Drug screening
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Library screening
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