http://orcid.org/0000-0002-4169-8332
About the Authors
- Anna Bochicchio
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Contributed equally to this work with: Anna Bochicchio, Miroslav Krepl
Roles Conceptualization, Data curation, Investigation, Methodology, Validation, Writing – original draft, Writing – review & editing
Current address: Computational Biology, Department of Biology, Friedrich-Alexander University Erlangen-Nürnberg, Erlangen, Germany
Affiliation Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich, Jülich, Germany
- Miroslav Krepl
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Contributed equally to this work with: Anna Bochicchio, Miroslav Krepl
Roles Conceptualization, Data curation, Investigation, Methodology, Validation, Writing – original draft, Writing – review & editing
* E-mail: krepl@ibp.cz (MK); p.carloni@fz-juelich.de (PC)
Affiliation Institute of Biophysics of the Czech Academy of Sciences, Brno, Czech Republic
- Fan Yang
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Roles Data curation, Investigation, Writing – review & editing
Current address: School of Life Science and Technology, Harbin University of Technology, Nan Gang District, Harbin, China
Affiliation Department of Chemistry, University of Washington, Seattle, Washington, United States of America
- Gabriele Varani
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Roles Conceptualization, Funding acquisition, Investigation, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing
Affiliation Department of Chemistry, University of Washington, Seattle, Washington, United States of America
- Jiri Sponer
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Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing
Affiliations Institute of Biophysics of the Czech Academy of Sciences, Brno, Czech Republic, Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University Olomouc, Olomouc, Czech Republic
- Paolo Carloni
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Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Validation, Writing – original draft, Writing – review & editing
* E-mail: krepl@ibp.cz (MK); p.carloni@fz-juelich.de (PC)
Affiliations Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Institute of Neuroscience and Medicine INM-9, Forschungszentrum Jülich, Jülich, Germany, JARA-HPC, Jülich Supercomputing Centre, Forschungszentrum Jülich GmbH, Jülich, Germany
Competing Interests
The authors have declared that no competing interests exist.