About the Authors

Emmanuel E. Moutoussamy

Roles Conceptualization, Formal analysis, Methodology, Software, Writing – original draft, Writing – review & editing

Affiliations Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway, Department of Biological Sciences, University of Bergen, Bergen, Norway

Qaiser Waheed

Roles Investigation, Methodology, Software

Current address: Department of Chemistry, Bioscience and Environmental Engineering, University of Stavanger, Stavanger, Norway

Affiliations Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway, Department of Biological Sciences, University of Bergen, Bergen, Norway

Greta J. Binford

Roles Conceptualization, Methodology, Writing – review & editing

Affiliation Department of Biology, Lewis and Clark College, Portland, Oregon, United States

Hanif M. Khan

Roles Conceptualization, Writing – review & editing

Current address: Centre for Molecular Simulation, Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada

Affiliations Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway, Department of Biological Sciences, University of Bergen, Bergen, Norway

Shane M. Moran

Roles Investigation

Affiliation Department of Chemistry and Biochemistry, University of Arizona, Arizona, United States

Anna R. Eitel

Roles Investigation

Affiliation Department of Chemistry and Biochemistry, University of Arizona, Arizona, United States

Matthew H. J. Cordes

Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – review & editing

Affiliation Department of Chemistry and Biochemistry, University of Arizona, Arizona, United States

Nathalie Reuter

Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Supervision, Validation, Writing – review & editing

nathalie.reuter@uib.no

Affiliations Computational Biology Unit, Department of Informatics, University of Bergen, Bergen, Norway, Department of Chemistry, University of Bergen, Bergen, Norway

Competing Interests

The authors have declared that no competing interests exist.