1. CompBioLab Group, Institut de Química Computacional i Catàlisi (IQCC) and Departament de Química, Universitat de Girona, Maria Aurèlia Capmany 69, Girona 17003, Spain
2. Global AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Science, Ewha Womans University, Seoul 03760, Republic of Korea
3. Institute of Biophysics and Physical Biochemistry, Regensburg Center for Biochemistry, University of Regensburg, Universitätsstrasse 31, Regensburg 93053, Germany
4. Nostrum Biodiscovery, Carrer de Baldiri Reixac, 10-12, Barcelona 08028, Spain
5. ICREA, Pg. Lluís Companys 23, Barcelona 08010, Spain