A LiveCoMS Best Practices Guide Best practices for constructing, preparing, and evaluating protein-ligand binding affinity benchmarks [Article v0.1]

1Computational Chemistry, Janssen Research & Development, Turnhoutseweg 30, Beerse B-2340, Belgium; 2OpenEye Scientific Software, 9 Bisbee Court, Suite D, Santa Fe, NM 87508 USA; 3Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065 USA; 4MSD, The Francis Crick Institute, 1 Midland Road, London, NW1 1AT, United Kingdom; 5EaStCHEM School of Chemistry, David Brewster Road, Joseph Black Building, The King’s Buildings, Edinburgh, EH9 3FJ, UK; 6Departments of Pharmaceutical Sciences and Chemistry, University of California, Irvine, CA USA; 7Computational Chemistry & Biology, Merck KGaA, Frankfurter Str. 250, 64289 Darmstadt, Germany; 8DeepCure, 131 Dartmouth St, Boston, MA 02116 USA