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Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential

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https://hal.archives-ouvertes.fr/hal-02126837
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:35:01 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:07 PM

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Jiajing Zhang, Wei Yang, Jean-Philip Piquemal, Pengyu Ren. Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential. Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (4), pp.1314-1324. ⟨10.1021/ct200812y⟩. ⟨hal-02126837⟩

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