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 - Archive ouverte HAL
Journal Articles INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES Year : 2010

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

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Chemical Sciences Theoretical and/or physical chemistry Organic chemistry

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

https://hal.science/hal-02126831

Submitted on : Sunday, May 12, 2019-11:17:43 PM

Last modification on : Thursday, April 11, 2024-1:08:14 PM

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hal-02126831 , version 1 (12-05-2019)

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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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