Center for Integrative Proteomics Research and Department of Chemistry and Chemical Biology
Rutgers University, Piscataway, NJ 08854, USA, Department of Chemistry, University of Minnesota, Minneapolis, MN 55455, USA, Scientific Computation Program, University of Minnesota, Minneapolis, MN 55455, USA, and Department of Physics, High Performance Cluster Computing Centre, and Institute of Computational and Theoretical Studies, Hong Kong Baptist University, Kowloon Tong, Hong Kong.