Affiliation: | 1. Institut Químic de Sarrià (IQS), Laboratory of Biochemistry, Via Augusta, 390, Barcelona, ES 08017, Spain;2. Centre Européen de Calcul Atomique et Moléculaire (CECAM), Ecole Polytechnique Fédérale de Lausanne, BCH 4102, Lausanne, CH 1015, Switzerland;3. Max Planck Institute of Biophysics (MPIBP), Theoretical Molecular Biophysics, Max-von-Laue-Straße, 3, Frankfurt am Main, DE 60438, Germany;4. Scuola Internazionale Superiore di Studi Avanzati (SISSA), Via Bonomea, 265, Trieste, IT 34136, Italy;1. Department of Chemical and Materials Engineering, University of Kentucky, 177 F. Paul Anderson Tower, Lexington, KY 40506, USA;2. Department of Chemical and Materials Engineering, University of Kentucky, 4810 Alben Barkley Drive, Paducah, KY 42002, USA;1. Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas, Lawrence, Kansas;2. Department of Biochemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois;3. Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois;4. Center for Biophysics and Computational Biology, University of Illinois at Urbana-Champaign, Urbana, Illinois;5. School of Chemical Sciences, University of Illinois at Urbana-Champaign, Urbana, Illinois;6. National Center for Supercomputing Applications, University of Illinois at Urbana-Champaign, Urbana, Illinois;7. Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois;8. Department of Chemical and Biomolecular Engineering and the Biophysics Program, The University of Maryland, College Park, Maryland;1. Department of Life, Health and Environmental Sciences, University of L’Aquila, L’Aquila, Italy;2. Institute of Biochemistry and Clinical Biochemistry, Catholic University of Sacred Heart, Rome, Italy |