Department of Chemistry, University of North Carolina, Chapel Hill, Chapel Hill, North Carolina, United States of America.|Institute for Theoretical Chemistry, University of Vienna, Vienna, Austria, Bioinformatics Group, Department of Computer Science, University of Leipzig, Leipzig, Germany.|Department of Chemistry, University of North Carolina, Chapel Hill, Chapel Hill, North Carolina, United States of America.|Department of Microbiology and Immunology, University of North Carolina, Chapel Hill, Chapel Hill, North Carolina, United States of America.|Institute for Theoretical Chemistry, University of Vienna, Vienna, Austria, Bioinformatics and Computational Biology, University of Vienna, Vienna, Austria.|Department of Chemistry, University of North Carolina, Chapel Hill, Chapel Hill, North Carolina, United States of America.