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Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes

Dong Fang Robin Chaudret Jean-Philip Piquemal 1 G. Andrés Cisneros 2
1 LCT - Laboratoire de chimie théorique
2 Wayne State University [Detroit]
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https://hal.archives-ouvertes.fr/hal-02126800
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:16:13 PM
Last modification on : Tuesday, December 24, 2019 - 12:40:07 PM

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Dong Fang, Robin Chaudret, Jean-Philip Piquemal, G. Andrés Cisneros. Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes. Journal of Chemical Theory and Computation, American Chemical Society, 2013, 9 (5), pp.2156-2160. ⟨10.1021/ct400130b⟩. ⟨hal-02126800⟩

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