1. CeMM, Research Center for Molecular Medicine of the Austrian Academy of Sciences, 1090 Vienna, Austria.
2. Ersilia Open Source Initiative, Cambridge CB1 3DE, UK.
3. Medicine Design, Pfizer Worldwide Research and Development, Groton, CT 06340, USA.
4. Medicine Design, Pfizer, Cambridge, MA 02139, USA.
5. Max Perutz Labs, Vienna Biocenter Campus (VBC), Vienna Biocenter 5, 1030 Vienna, Austria.
6. University of Vienna, Max Perutz Labs, Vienna Biocenter 5, 1030 Vienna, Austria.
7. Molecular Informatics, Machine Learning and Computational Sciences, Early Clinical Development, Pfizer, Cambridge, MA 02139, USA.
8. Center for Physiology and Pharmacology, Medical University of Vienna, 1090 Vienna, Austria.