Computational Ranking of Yerba Mate Small Molecules Based on Their Predicted Contribution to Antibacterial Activity against Methicillin-Resistant Staphylococcus aureus

Caroline S. Rempe; Kellie P. Burris; Hannah L. Woo; Benjamin Goodrich; Denise Koessler Gosnell; Timothy J. Tschaplinski; C. Neal Stewart Jr.

doi:10.1371/journal.pone.0123925

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Peer-reviewed

Research Article

Computational Ranking of Yerba Mate Small Molecules Based on Their Predicted Contribution to Antibacterial Activity against Methicillin-Resistant Staphylococcus aureus

Caroline S. Rempe ,

Contributed equally to this work with: Caroline S. Rempe, Kellie P. Burris

Affiliations UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, TN, 37996, United States of America, Department of Plant Sciences, University of Tennessee, Knoxville, TN, 37996, United States of America
⨯
Kellie P. Burris ,

Contributed equally to this work with: Caroline S. Rempe, Kellie P. Burris

Affiliation Department of Plant Sciences, University of Tennessee, Knoxville, TN, 37996, United States of America
⨯
Hannah L. Woo,

Affiliation Department of Civil and Environmental Engineering, University of Tennessee, Knoxville, TN, 37996, United States of America
⨯
Benjamin Goodrich,

Affiliation Department of Electrical Engineering and Computer Science, University of Tennessee Knoxville, TN, 37996, United States of America
⨯
Denise Koessler Gosnell,

Affiliation Department of Electrical Engineering and Computer Science, University of Tennessee Knoxville, TN, 37996, United States of America
⨯
Timothy J. Tschaplinski,

Affiliations UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, TN, 37996, United States of America, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, United States of America
⨯
C. Neal Stewart Jr.

* E-mail: nealstewart@utk.edu

Affiliations UT-ORNL Graduate School of Genome Science and Technology, University of Tennessee, Knoxville, TN, 37996, United States of America, Department of Plant Sciences, University of Tennessee, Knoxville, TN, 37996, United States of America
⨯

Computational Ranking of Yerba Mate Small Molecules Based on Their Predicted Contribution to Antibacterial Activity against Methicillin-Resistant Staphylococcus aureus

Caroline S. Rempe,
Kellie P. Burris,
Hannah L. Woo,
Benjamin Goodrich,
Denise Koessler Gosnell,
Timothy J. Tschaplinski,
C. Neal Stewart Jr.

Published: May 8, 2015
https://doi.org/10.1371/journal.pone.0123925

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Gas chromatography-mass spectrometry
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