1. Department of Chemical and Biological Engineering, University of Colorado at Boulder, Boulder, Colorado 80309, United States
2. BASF SE, Molecular Modeling & Drug Discovery, Carl Bosch Str. 38, 67056 Ludwigshafen, Germany
3. Department of Aerospace Engineering and Mechanics, University of Minnesota, Minneapolis, Minnesota 55455, United States
4. Department of Biological Sciences, Lehigh University, Bethlehem, Pennsylvania 18015, United States