1. Chemistry Department, University of Tennessee, 1416 Circle Drive, 552 Dabney-Buehler Hall, Knoxville, Tennessee 37996-1600, Departament de Fisicoquímica and Institut de Biomedicina (IBUB), Facultat de Farmàcia, Universitat de Barcelona, Avgda Diagonal 643, Barcelona, 08028, Spain, National Center on nanoStructures and bioSystems at Surfaces (S3) of INFM-CNR, Via Campi 213/A, 41125 Modena, Italy, Center for Molecular Modeling and Department of Chemistry, University of Pennsylvania, 231 South 34th Street,...