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Journal articles
Study of the docking of competitive inhibitors at a model of tyrosinase active site: Insights from joint broken-symmetry/spin-flip DFT computations and ELF topological analysis
J. Piquemal 1
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Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
1
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- SU - Sorbonne Université (21 rue de l’École de médecine - 75006 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 (France)
2
INC - Institut de Chimie du CNRS (3 Rue Michel-Ange
75 016 Paris - France)
3
NIEHS-NIH - National Institute of Environmental Health Sciences [Durham] (Research Triangle Park, Durham, NC, 27709 - United States)
- NIH - National Institutes of Health [Bethesda] (9000 Rockville Pike, Bethesda, Maryland 20892 - United States)
Complete list of metadatas
https://hal.archives-ouvertes.fr/hal-02126831
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:17:43 PM
Last modification on : Wednesday, December 4, 2019 - 11:18:03 AM
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:17:43 PM
Last modification on : Wednesday, December 4, 2019 - 11:18:03 AM
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Identifiers
- HAL Id : hal-02126831, version 1
- DOI : 10.1007/s12539-010-0096-8
Collections
CNRS | INC-CNRS | LCT | SORBONNE-UNIVERSITE | SU-SCIENCES
Citation
A. de la Lande, J. Maddaluno, O. Parisel, A. Darden, J. Piquemal. Study of the docking of competitive inhibitors at a model of tyrosinase active site: Insights from joint broken-symmetry/spin-flip DFT computations and ELF topological analysis. INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES, 2010, 2 (1), pp.3-11. ⟨10.1007/s12539-010-0096-8⟩. ⟨hal-02126831⟩
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