Department of Biomedical Informatics, Arizona State University, 13212 East Shea Boulevard, Scottsdale, AZ 85259, USA. barrie.bradley@asu.edu.|Department of Biomedical Informatics, Arizona State University, 13212 East Shea Boulevard, Scottsdale, AZ 85259, USA. barrie.bradley@asu.edu.|Department of Biomedical Informatics, Arizona State University, 13212 East Shea Boulevard, Scottsdale, AZ 85259, USA. barrie.bradley@asu.edu.|Laboratory of Theory of Biopolymers, Faculty of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw, Poland. dgront@chem.uw.edu.pl.