1. Departments of Biological Sciences and Bioengineering, Lehigh University, Bethlehem, Pennsylvania 18015, United States
2. Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockholm, Sweden
3. State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zuchongzhi Road, Shanghai 201203, China
4. Wellcome-Wolfson Institute for Experimental Medicine, Queen’s University Belfast BT9 7BL, United Kingdom
5. Division of Structural Biochemistry, Research Center Borstel, Airway Research Center North, Member of the German Center for Lung Research (DZL), D-23845 Borstel, Germany
6. N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russia
7. Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China
8. Leadership Computing Facility, Argonne National Laboratory, Argonne, Illinois 60439, United States
9. Department of Chemical and Biomolecular Engineering and the Biophysics Graduate Program, University of Maryland, College Park, Maryland 20742, United States