AMOEBA Polarizable Force Field Parameters of the Heme Cofactor in Its Ferrous and Ferric Forms - Archive ouverte HAL
Journal Articles Journal of Chemical Theory and Computation Year : 2018

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

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Theoretical and/or physical chemistry

Jean-Philip Piquemal  : Connect in order to contact the contributor

https://hal.science/hal-02126731

Submitted on : Sunday, May 12, 2019-3:32:10 PM

Last modification on : Friday, May 31, 2024-12:52:15 PM

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hal-02126731 , version 1 (12-05-2019)

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

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