1 Research Programme on Biomedical Informatics, Hospital del Mar Medical Research Institute-Department of Experimental and Health Sciences, Pompeu Fabra University, Barcelona, Spain.
2 Institute of Medical Physics and Biophysics, Charite University Medicine Berlin, Berlin, Germany.
3 Institute of Medical Physics and Biophysics, Medical University Leipzig, Leipzig, Sachsen, Germany.
4 Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park, Barcelona, Spain.
5 Acellera, Barcelona, Spain.
6 Department of Drug Design and Pharmacology, University of Copenhagen, Copenhagen, Denmark.
7 Laboratori de Medicina Computacional, Unitat de Bioestadistica, Facultat de Medicina, Universitat Autònoma de Barcelona, Bellaterra, Spain.
8 Biophysics Institute, National Research Council of Italy, Milan, Italy.
9 Department of Biosciences, University of Milan, Milan, Italy.
10 Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden.
11 Laboratory of Biomolecular Research, Paul Scherrer Institute (PSI), Villigen PSI, Switzerland.
12 Condensed Matter Theory Group, PSI, Villigen PSI, Switzerland.
13 Faculty of Chemistry, Biological and Chemical Research Centre, University of Warsaw, Warsaw, Poland.
14 Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, NY, USA.
15 Department of Cell and Molecular Biology, Uppsala University, Biomedical Center, Uppsala, Sweden.
16 Department of Physiology and Biophysics, Weill Cornell Medical College of Cornell University, New York, NY, USA.
17 Institute for Computational Biomedicine, Weill Cornell Medical College of Cornell University, New York, NY, USA.
18 Department of Pharmaceutical Chemistry, Philipps-University Marburg, Marburg, Germany.
19 MRC Laboratory of Molecular Biology, Cambridge, UK.
20 Department of Pharmacy, University of Patras, Patras, Greece.
21 Computational Biology, School of Life Sciences, University of Dundee, Dundee, UK.
22 Physics, School of Science and Engineering, University of Dundee, Dundee, UK.
23 Berlin Institute of Health, Berlin, Germany.
24 Laboratory of Biomolecular Research, Paul Scherrer Institute (PSI), Villigen PSI, Switzerland. ramon.guixa@psi.ch.
25 Condensed Matter Theory Group, PSI, Villigen PSI, Switzerland. ramon.guixa@psi.ch.
26 Research Programme on Biomedical Informatics, Hospital del Mar Medical Research Institute-Department of Experimental and Health Sciences, Pompeu Fabra University, Barcelona, Spain. jana.selent@upf.edu.