About the Authors

Trung Hai Nguyen

Roles Investigation, Visualization, Writing – original draft

Current address: Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois, United States of America

Affiliation Computational Biomedicine (IAS-5 / INM-9) Forschungszentrum Jülich, Jülich, Germany, RWTH Aachen University, Aachen, Germany

Chao Zhang

Roles Conceptualization, Investigation, Supervision, Visualization, Writing – original draft

chao.zhang@kemi.uu.se (CZ); p.carloni@fz-juelich.de (PC)

Current address: Department of Chemistry, Ångström Laboratory, Uppsala, Sweden

Affiliation Computational Biomedicine (IAS-5 / INM-9) Forschungszentrum Jülich, Jülich, Germany, RWTH Aachen University, Aachen, Germany

Ewald Weichselbaum

Roles Investigation, Writing – original draft

Affiliation Institute of Biophysics, Johannes Kepler University Linz, Linz, Austria

Denis G. Knyazev

Roles Investigation, Writing – original draft

Affiliation Institute of Biophysics, Johannes Kepler University Linz, Linz, Austria

Peter Pohl

Roles Conceptualization, Investigation, Supervision, Writing – original draft

Affiliation Institute of Biophysics, Johannes Kepler University Linz, Linz, Austria

Paolo Carloni

Roles Conceptualization, Investigation, Project administration, Supervision, Writing – original draft

chao.zhang@kemi.uu.se (CZ); p.carloni@fz-juelich.de (PC)

Affiliation Computational Biomedicine (IAS-5 / INM-9) Forschungszentrum Jülich, Jülich, Germany, RWTH Aachen University, Aachen, Germany

Competing Interests

The authors have declared that no competing interests exist.