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Importance of lone pair interactions/redistribution in hard and soft ligands within the active site of alcohol dehydrogenase Zn-metalloenzyme: Insights from electron localization function

B. de Courcy 1 N. Gresh 2 J.-P. Piquemal 3
1 LCT - Laboratoire de chimie théorique
2 UPD5 - Université Paris Descartes - Paris 5
3 LCT - Laboratoire de chimie théorique
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https://hal.archives-ouvertes.fr/hal-02126823
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:57:14 PM
Last modification on : Friday, March 27, 2020 - 2:38:46 AM

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B. de Courcy, N. Gresh, J.-P. Piquemal. Importance of lone pair interactions/redistribution in hard and soft ligands within the active site of alcohol dehydrogenase Zn-metalloenzyme: Insights from electron localization function. INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2009, 1 (1), pp.55-60. ⟨10.1007/s12539-008-0027-0⟩. ⟨hal-02126823⟩

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