QM/MM study of l-lactate oxidation by flavocytochrome b2
Gillet, N, Ruiz-Pernía, J J, de la Lande, A, Lévy, B, Lederer, F, Demachy, I, Moliner, V
Published in Physical chemistry chemical physics : PCCP (21.06.2016)
Published in Physical chemistry chemical physics : PCCP (21.06.2016)
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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
de la Lande, A., Maddaluno, J., Parisel, O., Darden, T. A., Piquemal, J. -P.
Published in Interdisciplinary sciences : computational life sciences (01.03.2010)
Published in Interdisciplinary sciences : computational life sciences (01.03.2010)
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Journal Article
QM/MM study of l -lactate oxidation by flavocytochrome b 2
Gillet, N., Ruiz-Pernía, J. J., de la Lande, A., Lévy, B., Lederer, F., Demachy, I., Moliner, V.
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article
QM/MM study of l-lactate oxidation by flavocytochrome b2Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00395h
Gillet, N, Ruiz-Pernía, J. J, de la Lande, A, Lévy, B, Lederer, F, Demachy, I, Moliner, V
Year of Publication 08.06.2016
Year of Publication 08.06.2016
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Journal Article
QM/MM study of l-lactate oxidation by flavocytochrome b sub(2)
Gillet, N, Ruiz-Pernia, J J, de la Lande, A, Levy, B, Lederer, F, Demachy, I, Moliner, V
Published in Physical chemistry chemical physics : PCCP (01.06.2016)
Published in Physical chemistry chemical physics : PCCP (01.06.2016)
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Journal Article
How to optimize a CH cleavage with a mononuclear copper-dioxygen adduct?
De La Lande, A., Gérard, H., Parisel, O.
Published in International journal of quantum chemistry (2008)
Published in International journal of quantum chemistry (2008)
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Journal Article
What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?
Piquemal, J.-P., Pilmé, J., Parisel, O., Gérard, H., Fourré, I., Bergès, J., Gourlaouen, C., De La Lande, A., Van Severen, M.-C., Silvi, B.
Published in International journal of quantum chemistry (2008)
Published in International journal of quantum chemistry (2008)
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New insights into the mechanism of electron transfer within flavohemoglobins: tunnelling pathways, packing density, thermodynamic and kinetic analyses
EL HAMMI, Emna, HOUEE-LEVIN, Chantal, REZAC, Jan, LEVY, Bernard, DEMACHY, Isabelle, BACIOU, Laura, LA LANDE, Aurélien De
Published in Physical chemistry chemical physics : PCCP (28.10.2012)
Published in Physical chemistry chemical physics : PCCP (28.10.2012)
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