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Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential
Jiajing Zhang 1
Author
Wei Yang 2
Author
Jean-Philip Piquemal 3
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
Pengyu Ren 4
Author
1
University of Texas at Austin [Austin] (1 University Station Austin, Texas 78712 - United States)
2
FSU - Florida State University [Tallahassee] (600 W College Ave, Tallahassee, FL 32306 - United States)
3
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- UPMC - Université Pierre et Marie Curie - Paris 6 (4 place Jussieu - 75005 Paris - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 / UPR9070 (France)
4
Biomedical Engineering [Austin] (Cockrell School of Engineering, The University of Texas at Austin
107 W. Dean Keeton, BME Building, 1 University Station, C0800
Austin, Texas 78712 - United States)
- University of Texas at Austin [Austin] (1 University Station Austin, Texas 78712 - United States)
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Journal articles
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https://hal.archives-ouvertes.fr/hal-02126837
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:35:01 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:35:01 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
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Identifiers
- HAL Id : hal-02126837, version 1
- DOI : 10.1021/ct200812y
- PUBMEDCENTRAL : PMC3383645
Collections
CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES | SU-TI | INC-CNRS
Citation
Jiajing Zhang, Wei Yang, Jean-Philip Piquemal, Pengyu Ren. Modeling Structural Coordination and Ligand Binding in Zinc Proteins with a Polarizable Potential. Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (4), pp.1314-1324. ⟨10.1021/ct200812y⟩. ⟨hal-02126837⟩
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