Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach

• Bo-Xue 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

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• Frank H. Wallrapp,

  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

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• Gemma L. Holiday,

  Affiliations California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California, United States of America, Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, California, United States of America

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• Jeng-Yeong Chow,

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

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• Patricia C. Babbitt,

  Affiliations California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California, United States of America, Department of Bioengineering and Therapeutic Sciences, University of California, San Francisco, San Francisco, California, United States of America

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• C. Dale Poulter,

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

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• 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

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