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Nathalie GENESTE Expertise / Responsabilities Modélisation Moléculaire, dynamique moléculaire, SAR/QSAR
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Publications Givelet C., Tinant B., Van Meervelt L., Buffeteau T., Marchand-Geneste N., Bibal B. (2009) Polyphosphorylated triphenylenes: synthesis, crystal structure and selective catechol recognition, Journal of Organic Chemistry, 74, 652-659.
Panaye A., Doucet J.P., Devillers J., Marchand-Geneste N., Dore J.C., Porcher J.M. (2008) Decision trees versus support vector machine for classification of androgen receptor ligands, SAR and QSAR in Environmental Research, 19, 129-151.
Rocher A., Marchand-Geneste N. (2008) Homology modelling of the Apis mellifera nicotinic acetylcholine receptor (nAChR) and docking of imidacloprid and fipronil insecticides and their metabolites, SAR and QSAR in Environmental Research, 19, 245-261.
Devillers J., Marchand-Geneste N., Dore J.C., Porcher J.M., Poroikov V. (2007) Endocrine disruption profile analysis of 11,416 chemicals from chemometrical tools, SAR and QSAR in Environmental Research, 18, 181-193.
Douat-Casassus C., Marchand-Geneste N., Diez E., Gervois N., Jotereau F., Quideau S. (2007) Synthetic anticancer vaccine candidates: rational design of antigenic peptide mimetics that activate tumor-specific T-cells, Journal of Medicinal Chemistry, 50, 1598-1609.
Carpy A., Marchand-Geneste N. (2006) Structural e-bioinformatics and drug design, SAR and QSAR in Environmental Research, 17, 1-10..
Devillers J., Marchand-Geneste N., Carpy A., Porcher J.M. (2006) SAR and QSAR modeling of endocrine disruptors, SAR and QSAR in Environmental Research, 17, 393-412.
Douat-Casassus C., Marchand-Geneste N., Diez E., Aznar C., Picard P., Geoffre S., Huet A., Bourguet-Kondracki M.L., Gervois N., Jotereau F., Quideau S. (2006) Covalent modification of a melanoma-derived antigenic peptide with a natural quinine methide. Preliminary chemical, molecular modelling and immunological evaluation studies, Molecular Biosystems, 2, 240-249.
Marchand-Geneste N., Cazaunau M., Carpy A., Laguerre M., Porcher J.M., Devillers J. (2006) Homology model of the rainbow trout estrogen receptor (rtERalpha) and docking of endocrine disrupting chemicals (EDCs), SAR and QSAR in Environmental Research, 17, 93-105.
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