HAL will be down for maintenance from Friday, June 10 at 4pm through Monday, June 13 at 9am. More information
Skip to Main content Skip to Navigation
Journal articles

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
Complete list of metadata
https://hal.archives-ouvertes.fr/hal-02126819
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 10:50:02 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM

Links full text

openaccess

Identifiers

Collections

CNRS | LCT | UPMC | UNIV-PARIS5 | SORBONNE-UNIVERSITE | SU-SCIENCES | UNIV-PARIS | SU-TI | INC-CNRS

Citation

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?. Journal of Chemical Theory and Computation, American Chemical Society, 2008, 4 (10), pp.1659-1668. ⟨10.1021/ct800200j⟩. ⟨hal-02126819⟩

Export

BibTeX TEI DC DCterms EndNote Datacite

Share

Metrics

Record views

11