Energy Analysis of Zn Polycoordination in a Metalloprotein Environment and of the Role of a Neighboring Aromatic Residue. What Is the Impact of Polarization?

Benoit de Courcy; Jean-Philip Piquemal; Nohad Gresh

Energy Analysis of Zn Polycoordination in a Metalloprotein Environment and of the Role of a Neighboring Aromatic Residue. What Is the Impact of Polarization?

Benoit de Courcy ¹ Jean-Philip Piquemal ¹ Nohad Gresh ²

1 LCT - Laboratoire de chimie théorique

2 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

Document type :

Journal articles

Domain :

Chemical Sciences

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02126819
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:50:02 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

Energy Analysis of Zn Polycoordination in a Metalloprotein Environment and of the Role of a Neighboring Aromatic Residue. What Is the Impact of Polarization?

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Energy Analysis of Zn Polycoordination in a Metalloprotein Environment and of the Role of a Neighboring Aromatic Residue. What Is the Impact of Polarization?

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