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

doi:10.1021/ct800200j

Journal Articles Journal of Chemical Theory and Computation Year : 2008

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

(1) , (1) , (2)

1
2

Benoit de Courcy

Function : Author

Laboratoire de chimie théorique

Jean-Philip Piquemal

Function : Author
PersonId : 7807
IdHAL : jean-philip-piquemal
ORCID : 0000-0001-6615-9426
IdRef : 089289439

Laboratoire de chimie théorique

CV

Nohad Gresh

Function : Author
PersonId : 842212

Pharmacochimie Moléculaire et Cellulaire

Domains

Chemical Sciences Theoretical and/or physical chemistry

Jean-Philip Piquemal : Connect in order to contact the contributor

https://hal.science/hal-02126819

Submitted on : Sunday, May 12, 2019-10:50:02 PM

Last modification on : Friday, May 31, 2024-12:52:15 PM

Dates and versions

hal-02126819 , version 1 (12-05-2019)

Identifiers

HAL Id : hal-02126819 , version 1
DOI : 10.1021/ct800200j

Cite

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, 2008, 4 (10), pp.1659-1668. ⟨10.1021/ct800200j⟩. ⟨hal-02126819⟩

Export

BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite

Collections

UPMC CNRS LCT SORBONNE-UNIVERSITE SU-SCIENCES CHIMIE-SU

23 View

0 Download

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

Domains

Dates and versions

Identifiers

Cite

Export

Collections

Altmetric

Share