Defining the Product Chemical Space of Monoterpenoid Synthases

Boxue Tian; C. Dale Poulter; Matthew P. Jacobson

doi:10.1371/journal.pcbi.1005053

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Open Access

Peer-reviewed

Research Article

Defining the Product Chemical Space of Monoterpenoid Synthases

Boxue Tian,

Affiliations Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco, San Francisco, California, United States of America, California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California, United States of America
⨯
C. Dale Poulter,

Affiliation Department of Chemistry, University of Utah, Salt Lake City, Utah, United States of America
⨯
Matthew P. Jacobson

* E-mail: matt.jacobson@ucsf.edu

Affiliations Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco, San Francisco, California, United States of America, California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California, United States of America
⨯

Defining the Product Chemical Space of Monoterpenoid Synthases

Boxue Tian,
C. Dale Poulter,
Matthew P. Jacobson

Published: August 12, 2016
https://doi.org/10.1371/journal.pcbi.1005053

About the Authors

Boxue Tian

Affiliations Department of Pharmaceutical Chemistry, School of Pharmacy, University of California, San Francisco, San Francisco, California, United States of America, California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California, United States of America

C. Dale Poulter

Affiliation Department of Chemistry, University of Utah, Salt Lake City, Utah, United States of America

Matthew P. Jacobson

* E-mail: matt.jacobson@ucsf.edu

Competing Interests

MPJ is a consultant for Schrödinger LLC, which licenses, develops, and distributes software used in this work.

Author Contributions

Conceived and designed the experiments: MPJ CDP BT. Performed the experiments: BT. Analyzed the data: MPJ CDP BT. Contributed reagents/materials/analysis tools: MPJ CDP BT. Wrote the paper: MPJ CDP BT.

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Terpenes
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Alkanes
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Reactants
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Algorithms
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Enzyme structure
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Isomers
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Stereoisomers
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Enzymes
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