About the Authors

Qi Huang

Roles Conceptualization, Data curation, Investigation, Methodology, Validation, Visualization, Writing – original draft, Writing – review & editing

Affiliation Physical and Computational Sciences Directorate, Pacific Northwestern National Laboratory, Richland, Washington United States of America

Monika Tokmina-Lukaszewska

Roles Data curation, Formal analysis, Investigation, Validation, Visualization, Writing – review & editing

Affiliation Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana United States of America

Lewis E. Johnson

Roles Conceptualization, Investigation, Methodology, Writing – review & editing

Affiliations Physical and Computational Sciences Directorate, Pacific Northwestern National Laboratory, Richland, Washington United States of America, Department of Chemistry, University of Washington, Seattle, Washington United States of America

Hayden Kallas

Roles Data curation

Affiliation Department of Chemistry and Biochemistry, Utah State University, Logan, Utah United States of America

Bojana Ginovska

Roles Supervision, Writing – review & editing

Affiliation Physical and Computational Sciences Directorate, Pacific Northwestern National Laboratory, Richland, Washington United States of America

John W. Peters

Roles Funding acquisition, Resources, Supervision, Writing – review & editing

Affiliation Institute of Biological Chemistry, Washington State University, Pullman, Washington United States of America

Lance C. Seefeldt

Roles Funding acquisition, Resources, Supervision, Writing – review & editing

Affiliations Physical and Computational Sciences Directorate, Pacific Northwestern National Laboratory, Richland, Washington United States of America, Department of Chemistry and Biochemistry, Utah State University, Logan, Utah United States of America

Brian Bothner

Roles Funding acquisition, Resources, Supervision, Writing – review & editing

Affiliation Department of Chemistry and Biochemistry, Montana State University, Bozeman, Montana United States of America

Simone Raugei

Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Supervision, Writing – original draft, Writing – review & editing

simone.raugei@pnnl.gov

Affiliation Physical and Computational Sciences Directorate, Pacific Northwestern National Laboratory, Richland, Washington United States of America

Competing Interests

The authors have declared that no competing interests exist.