1. Boothroyd Scientific Consulting Ltd., London WC2H 9JQ, U.K.
2. Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
3. Chemical & Biological Engineering Department, University of Colorado Boulder, Boulder, Colorado 80309, United States
4. Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, Beerse B-2340, Belgium
5. Chemistry Department, The University of California at Davis, Davis, California 95616, United States
6. OpenEye Scientific Software, Santa Fe, New Mexico 87508, United States
7. Computational Biomolecular Dynamics Group, Department of Theoretical and Computational Biophysics, Max Planck Institute for Multidisciplinary Sciences, Am Fassberg 11, D-37077, Göttingen, Germany
8. The Open Force Field Initiative, Open Molecular Software Foundation, Davis, California 95616, United States
9. School of Natural and Environmental Sciences, Newcastle University, Newcastle upon Tyne NE1 7RU, U.K.
10. Datryllic LLC, Phoenix, Arizona 85003, United States
11. Department of Chemistry, University of California, Irvine, California 92697, United States
12. Skaggs School of Pharmacy and Pharmaceutical Sciences, The University of California at San Diego, La Jolla, California 92093, United States
13. Computational & Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, New York 10065, United States