Joint BSC-CRG-IRB Research Programme in Computational Biology, Barcelona Supercomputing Center - BSC, Barcelona, Spain.|Joint BSC-CRG-IRB Research Programme in Computational Biology, Institute for Research in Biomedicine - IRB Barcelona, Barcelona, Spain.|Department of Chemistry, Chemical Biological Centre, Umeå University, Umeå, Sweden.|Joint BSC-CRG-IRB Research Programme in Computational Biology, Barcelona Supercomputing Center - BSC, Barcelona, Spain.|Joint BSC-CRG-IRB Research Programme in Computational Biology, Institute for Research in Biomedicine - IRB Barcelona, Barcelona, Spain.|Joint BSC-CRG-IRB Research Programme in Computational Biology, Barcelona Supercomputing Center - BSC, Barcelona, Spain, Institució Catalana de Recerca i Estudis Avançats - ICREA, Barcelona, Spain.|Department of Chemistry, Chemical Biological Centre, Umeå University, Umeå, Sweden.|Joint BSC-CRG-IRB Research Programme in Computational Biology, Institute for Research in Biomedicine - IRB Barcelona, Barcelona, Spain, Institució Catalana de Recerca i Estudis Avançats - ICREA, Barcelona, Spain.