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Parametrization of a force field for metals complexed to biomacromolecules: applications to Fe(II), Cu(II) and Pb(II) |
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| Authors: | David Laurent Amara Patricia Field Martin J Major François |
| Institution: | (1) Département d'Informatique et de Recherche Opérationnelle, Université de Montréal, C.P. 6128, Succ. Centre-Ville, Montréal, Québec, Canada, H3C 3J7;(2) Present address: AstraZeneca R&D, Lund, Sweden |
| Abstract: | |
| Keywords: | metals lead force fields parametrization crystallographic data |
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