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Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields |
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| Authors: | Marie Zgarbová Andreana M Rosnik F Javier Luque Carles Curutchet Petr Jure?ka |
| Institution: | 1. Regional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacky University, Olomouc, Czech Republic;2. Department de Fisicoquímica, Facultat de Farmàcia, Universitat de Barcelona, Barcelona, Spain;3. Department de Fisicoquímica and Institut de Biomedicina (IBUB), Facultat de Farmàcia, Universitat de Barcelona, Spain |
| Abstract: | |
| Keywords: | polarizable force fields molecular mechanics torsion parameters |