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Substituent-Modulated Affinities of Halobenzene Derivatives to the HIV-1 Integrase Recognition Site. Analyses of the Interaction Energies by Parallel Quantum Chemical and Polarizable Molecular Mechanics

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https://hal.archives-ouvertes.fr/hal-02126859
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 6:53:32 AM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM

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Krystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, Richard Maroun, Nohad Gresh. Substituent-Modulated Affinities of Halobenzene Derivatives to the HIV-1 Integrase Recognition Site. Analyses of the Interaction Energies by Parallel Quantum Chemical and Polarizable Molecular Mechanics. Journal of Physical Chemistry A, American Chemical Society, 2014, 118 (41), pp.9772-9782. ⟨10.1021/jp5079899⟩. ⟨hal-02126859⟩

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