A new benchmark illustrates that integration of geometric constraints inferred from enzyme reaction chemistry can increase enzyme active site modeling accuracy

• Steve J. Bertolani,

  Roles Conceptualization, Investigation, Methodology, Software, Writing – original draft

  Affiliation Department of Chemistry, University of California Davis, Davis, California, United States of America

  http://orcid.org/0000-0002-2161-6627

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• Justin B. Siegel

  Roles Conceptualization, Funding acquisition, Investigation, Writing – review & editing

  * E-mail: jbsiegel@ucdavis.edu

  Affiliations Department of Chemistry, University of California Davis, Davis, California, United States of America, Department of Biochemistry and Molecular Medicine, University of California, Davis, Davis, California, United States of America, Genome Center, University of California Davis, Davis, California, United States of America

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