AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms

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https://hal.archives-ouvertes.fr/hal-02126731
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 3:32:10 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:04 AM

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Xiaojing Wu, Carine Clavaguera, Louis Lagardère, Jean-Philip Piquemal, Aurelien de La Lande. AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (5), pp.2705-2720. ⟨10.1021/acs.jctc.7b01128⟩. ⟨hal-02126731⟩

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