1. Computational Biochemistry and Biophysics Laboratory (GRIB-IMIM), Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), C/Doctor Aiguader 88, 08003 Barcelona, Spain
2. Institute of Biology, Eötvös Loránd University, Pázmány P. s. 1/C, 1117 Budapest, Hungary
3. Centre for Computational Science, Christopher Ingold Laboratories, University College London, 20 Gordon Street, WC1H 0AJ, London, United Kingdom