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Charge parametrization of the DvH-c3 heme group: validation using constant-(pH,E) molecular dynamics simulations

João Henriques1, Paulo J Costa, Maria José Calhorda

  • 1Centro de Química e Bioquímica and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa, Portugal.

The Journal of Physical Chemistry. B
|December 4, 2012
PubMed

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