1. Center
for Integrative Proteomics Research, BioMaPS
Institute for Quantitative Biology, and Department
of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States
2. Department
of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455, United States
3. Scientific
Computation Program, University of Minnesota, Minneapolis, Minnesota 55455, United States
4. Department
of Physics, High Performance Cluster Computing
Centre, and Institute of Computational and
Theoretical Studies, Hong Kong Baptist University, Kowloon Tong, Hong Kong