1. Department of Chemistry, University of North Texas, Denton, Texas 76201, United States
2. Department of Chemistry, Wayne State University, Detroit, Michigan 48202, United States
3. OpenEye Scientific Software, Santa Fe, New Mexico 87508, United States
4. Department of Chemistry, Sorbonne Université, Paris 75005, France
5. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States
6. Insitute Universitaire de France, Paris 75231, France