1. Department of Integrative Structural and Computational Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
2. Departments of Computer Systems and Information Technologies, Tecnologico Nacional de Mexico & Instituto Tecnológico Superior de Irapuato, Irapuato, Guanajuato, México
3. Biomolecular Diversity Laboratory, Centro de Investigación y de Estudios Avanzados Unidad Monterrey, Vía del Conocimiento 201, Parque PIIT, C.P. 66600, Apodaca, Nuevo León, México
4. Department of Computational Medicine and Bioinformatics, University of Michigan, Ann Arbor, MI, USA
5. Department of Chemistry, University of Michigan, Ann Arbor, MI, USA
6. Department of Biophysics, University of Michigan, Ann Arbor, MI, USA