1. Departments of Chemistry and Materials Science, University of Vermont, Burlington, Vermont 05405, United States
2. King Abdullah University of Science and Technology (KAUST), Computational Bioscience Research Center (CBRC), Biological and Environmental Science and Engineering (BESE), Thuwal 23955-6900, Saudi Arabia
3. Centre de Biologie Structurale, CNRS, INSERM, Université de Montpellier, 34090 Montpellier, France