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; 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

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

Document type :

Journal articles

Domain :

Chemical Sciences

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02126823
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:57:14 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:13 AM

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

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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

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