1. Computational Biology Group, Life Sciences Department, Barcelona Supercomputing Center , Barcelona, Spain
2. Laboratorio de Fisiología de Proteínas, Departamento de Química Biológica - IQUIBICEN/CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires , Buenos Aires C1428EGA, Argentina
3. Manas.tech , 300 Lenora Street 1541, Seattle, WA 98121, USA
4. Center for Theoretical Biological Physics and Department of Chemistry, Rice University , Houston, TX 77005, USA
5. Catalan Institution for Research and Advanced Studies (ICREA) , Barcelona, Spain