About the Authors

Joseph T. Ortega

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

Affiliation Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America

Jacklyn M. Gallagher

Roles Data curation, Formal analysis, Methodology, Validation, Writing – original draft

Affiliations The James Tarpo Jr. and Margaret Tarpo Department of Chemistry, Purdue University, West Lafayette, Indiana, United States of America, Department of Chemistry, Indiana University, Bloomington, Indiana, United States of America

Andrew G. McKee

Roles Data curation, Formal analysis, Validation, Writing – original draft

Affiliation Department of Chemistry, Indiana University, Bloomington, Indiana, United States of America

Yidan Tang

Roles Data curation, Formal analysis, Methodology, Validation, Visualization, Writing – original draft

Affiliation Department of Chemistry, Vanderbilt University, Nashville, Tennessee, United States of America

Miguel Carmena-Bargueňo

Roles Data curation, Formal analysis, Methodology, Validation, Visualization, Writing – original draft

Affiliation Structural Bioinformatics and High-Performance Computing Research Group (BIO-HPC), UCAM Universidad Católica de Murcia, Guadalupe, Spain

Maria Azam

Roles Data curation, Formal analysis, Validation, Visualization, Writing – original draft

Affiliation Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America

Zaiddodine Pashandi

Roles Data curation, Formal analysis, Writing – original draft

Affiliation Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America

Marcin Golczak

Roles Data curation, Formal analysis, Funding acquisition, Methodology, Validation, Visualization, Writing – original draft

Affiliation Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America

Jens Meiler

Roles Data curation, Formal analysis, Funding acquisition, Methodology, Supervision, Writing – original draft

Affiliations Department of Chemistry, Vanderbilt University, Nashville, Tennessee, United States of America, Center for Structural Biology, Vanderbilt University, Nashville, Tennessee, United States of America, Institute for Drug Discovery, Leipzig University, Leipzig, Germany

Horacio Pérez-Sánchez

Roles Data curation, Funding acquisition, Methodology, Supervision, Writing – original draft

Affiliation Structural Bioinformatics and High-Performance Computing Research Group (BIO-HPC), UCAM Universidad Católica de Murcia, Guadalupe, Spain

Jonathan P. Schlebach

Roles Data curation, Formal analysis, Funding acquisition, Methodology, Supervision, Writing – original draft

Affiliation The James Tarpo Jr. and Margaret Tarpo Department of Chemistry, Purdue University, West Lafayette, Indiana, United States of America

Beata Jastrzebska

Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Visualization, Writing – original draft, Writing – review & editing

bxj27@case.edu

Affiliation Department of Pharmacology and Cleveland Center for Membrane and Structural Biology, School of Medicine, Case Western Reserve University, Cleveland, Ohio, United States of America

Competing Interests

The authors have declared that no competing interests exist.