1. Faculty of Medicine, Walther Straub Institute of Pharmacology and Toxicology, Ludwig-Maximilians-Universität München, Munich 80539, Germany
2. Schulich Faculty of Chemistry, Technion-Israel Institute of Technology, Haifa 3200008, Israel
3. Schrödinger, Inc., 1540 Broadway, New York, New York 10036, United States
4. Istituto di Biofisica, CNR, Via De Marini 6, Genova 16149, Italy