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21 documents ordered by : Date Title first author name document type Submit date

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Exploring the binding pocket for pyridopyrimidine ligands at the CCK1 receptor by molecular docking. Toumi-Maouche A., Maouche B., Tairi-Kellou S., El-Aoufi S., Martin-Martinez M., Gonzalez-Muniz R., Fourmy D., Maigret B. Journal of Molecular Modeling 14, 4 (2008) 303-314 [inria-00339125 - version 1]

Cluster Induced fit in liver X receptor beta: a molecular dynamics-based investigation Beautrait A., Karaboga A. S., Souchet M., Maigret B. Proteins Structure Function and Bioinformatics 72, 3 (2008) 873-882 [inria-00339117 - version 1]

Insights into the binding and activation sites of the receptors for cholecystokinin and gastrin Foucaud M., Archer-Lahlou E., Marco E., Tikhonova I. G., Maigret B., Escrieut C., Langer I., Fourmy D. Regulatory Peptides 145, 1-3 (2008) 17-23 [inria-00188603 - version 1]

Should structure-based virtual screening techniques be used more extensively in modern drug discovery ? Leroux V., Maigret B. Computers and Applied Chemistry 27 (2007) 1-10 [inria-00188601 - version 1]

Discovering new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations Floquet N., Richez C., Durand P., Maigret B., Badet B., Badet-Denisot M.-A. Bioorganic & Medicinal Chemistry letters / Bioorganic and Medicinal Chemistry Letters (Bioorg Med Chem Lett) 17, 7 (2007) 1966-1970 [inria-00188599 - version 1]

Ammonia channeling in bacterial glucosamine-6-phosphate synthase (Glms): molecular dynamics simulations and kinetic studies of protein mutants Floquet N., Mouilleron S., Daher R., Maigret B., Badet B., Badet-Denisot M.-A. FEBS Letters / FEBS-Letters; FEBS Microbiol Lett 581, 16 (2007) 2981-2987 [inria-00188598 - version 1]

Validated ligand binding sites in CCK receptors. Next step: computer-aided design of novel CCK ligands Tikhonova I. G., Marco E., Lahlou-Archer E., Langer I., Foucaud M., Maigret B., Fourmy D. Current Topics in Medicinal Chemistry 7, 12 (2007) 1243-1247 [inria-00188597 - version 1]

Role of water molecules for binding inhibitors in the SH2 domain of Grb2: a molecular dynamics study Leroux V., Gresh N., Liu W.-Q., Garbay C., Maigret B. Journal of Molecular Structure THEOCHEM 806, 1-3 (2007) 51-66 [inria-00188596 - version 1]

PGY Repeats and N-Glycans Govern the Trafficking of Paranodin and Its Selective Association with Contactin and Neurofascin-155 Bonnon C., Bel C., Goutebroze L., Maigret B., Girault J.-A., Faivre-Sarrailh C. Molecular Biology of the Cell 18, 1 (2007) 229-241 [inria-00188595 - version 1]

La fouille de graphes dans les bases de données réactionnelles au service de la synthèse en chimie organique Pennerath F., Napoli A. Dans 6èmes Journées Francophones "Extraction et gestion des connaissances" - EGC 2006 2/RNTI-E-6 (2006) 517-528 [inria-00092783 - version 1]