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Results: 1-25 | 26-27
Results: 1-25/27
Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics
Authors: Moitessier, N Dufour, S Chretien, F Thiery, JP Maigret, B Chapleur, Y
Citation: N. Moitessier et al., Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics, BIO MED CH, 9(2), 2001, pp. 511-523
The search for a new model structure of beta-Factor XIIa
Authors: Henriques, ES Floriano, WB Reuter, N Melo, A Brown, D Gomes, JANF Maigret, B Nascimento, MAC Ramos, MJ
Citation: Es. Henriques et al., The search for a new model structure of beta-Factor XIIa, J COMPUT A, 15(4), 2001, pp. 309-322
Molecular Dynamics simulation and X-ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase
Authors: Soetens, JC Millot, C Maigret, B Bako, I
Citation: Jc. Soetens et al., Molecular Dynamics simulation and X-ray diffraction studies of ethylene carbonate, propylene carbonate and dimethyl carbonate in liquid phase, J MOL LIQ, 92(3), 2001, pp. 201-216
Electronic descriptors of the (1,4)-benzodiazepine derivatives related to the antagonist activity on cholecystokinin receptors
Authors: Tairi-Kellou, S Cartier, A Maouche, B Maigret, B
Citation: S. Tairi-kellou et al., Electronic descriptors of the (1,4)-benzodiazepine derivatives related to the antagonist activity on cholecystokinin receptors, J MOL ST-TH, 571, 2001, pp. 207-223
Chiral recognition study for the inclusion complexes of amino acids with alpha-cyclodextrin using a fast annealing evolutionary algorithm
Authors: Xia, BY Cai, WS Shao, XG Guo, QX Maigret, B Pan, ZX
Citation: By. Xia et al., Chiral recognition study for the inclusion complexes of amino acids with alpha-cyclodextrin using a fast annealing evolutionary algorithm, J MOL ST-TH, 546, 2001, pp. 33-38
Molecular interactions of alpha-cyclodextrin inclusion complexes using a genetic algorithm
Authors: Cai, WS Xia, BY Shao, XG Guo, QX Maigret, B Pan, ZX
Citation: Ws. Cai et al., Molecular interactions of alpha-cyclodextrin inclusion complexes using a genetic algorithm, J MOL ST-TH, 535, 2001, pp. 115-119
Control of conformational equilibria in the human B-2 bradykinin receptor - Modeling of nonpeptidic ligand action and comparison to the rhodopsin structure
Authors: Marie, J Richard, E Pruneau, D Paquet, JL Siatka, C Larguier, R Ponce, C Vassault, P Groblewski, T Maigret, B Bonnafous, JC
Citation: J. Marie et al., Control of conformational equilibria in the human B-2 bradykinin receptor - Modeling of nonpeptidic ligand action and comparison to the rhodopsin structure, J BIOL CHEM, 276(44), 2001, pp. 41100-41111
Molecular docking of alpha-cyclodextrin inclusion complexes by genetic algorithm and empirical binding free energy function
Authors: Cai, WS Xia, BY Shao, XG Guo, QX Maigret, B Pan, ZX
Citation: Ws. Cai et al., Molecular docking of alpha-cyclodextrin inclusion complexes by genetic algorithm and empirical binding free energy function, CHEM P LETT, 342(3-4), 2001, pp. 387-396
Molecular dynamics-based models explain the unexpected diastereoselectivity of the sharpless asymmetric dihydroxylation of allyl D-xylosides
Authors: Moitessier, N Maigret, B Chretien, F Chapleur, Y
Citation: N. Moitessier et al., Molecular dynamics-based models explain the unexpected diastereoselectivity of the sharpless asymmetric dihydroxylation of allyl D-xylosides, EUR J ORG C, (6), 2000, pp. 995-1005
Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment
Authors: Magalhaes, AL Maigret, B Gomes, JANF Ramos, MJ
Citation: Al. Magalhaes et al., Hybrid QM/MM study of a fundamental biological interaction surrounded by its protein environment, INTERNET J, 3(9-11), 2000, pp. NIL_43-NIL_55
Frontier bonds in QM/MM methods: A comparison of different approaches
Authors: Reuter, N Dejaegere, A Maigret, B Karplus, M
Citation: N. Reuter et al., Frontier bonds in QM/MM methods: A comparison of different approaches, J PHYS CH A, 104(8), 2000, pp. 1720-1735
Structural analysis of the KGD sequence loop of barbourin, an alpha(IIb)beta(3)-specific disintegrin
Authors: Minoux, H Chipot, C Brown, D Maigret, B
Citation: H. Minoux et al., Structural analysis of the KGD sequence loop of barbourin, an alpha(IIb)beta(3)-specific disintegrin, J COMPUT A, 14(4), 2000, pp. 317-327
Replacement of glycine with dicarbonyl and related moieties in analogues of the C-terminal pentapeptide of cholecystokinin: CCK2 agonists displaying a novel binding mode
Authors: Bellier, B Million, ME DaNascimento, S Meudal, H Kellou, S Maigret, B Garbay, C
Citation: B. Bellier et al., Replacement of glycine with dicarbonyl and related moieties in analogues of the C-terminal pentapeptide of cholecystokinin: CCK2 agonists displaying a novel binding mode, J MED CHEM, 43(20), 2000, pp. 3614-3623
A new all-atom force field for crystalline cellulose I
Authors: Neyertz, S Pizzi, A Merlin, A Maigret, B Brown, D Deglise, X
Citation: S. Neyertz et al., A new all-atom force field for crystalline cellulose I, J APPL POLY, 78(11), 2000, pp. 1939-1946
Stability and geometry prediction for the inclusion complexes of mono- or 1,4-disubstituted benzenes and beta-cyclodextrin using a genetic algorithm
Authors: Cai, WS Xia, BY Shao, XG Guo, QX Maigret, B Pan, ZX
Citation: Ws. Cai et al., Stability and geometry prediction for the inclusion complexes of mono- or 1,4-disubstituted benzenes and beta-cyclodextrin using a genetic algorithm, CHEM P LETT, 319(5-6), 2000, pp. 708-712
Modelling the active site of glyceraldehyde-3 phosphate dehydrogenase withthe LSCF formalism
Authors: Cartier, A Brown, D Maigret, B Boschi-Muller, S Rahuel-Clermont, S Branlant, G
Citation: A. Cartier et al., Modelling the active site of glyceraldehyde-3 phosphate dehydrogenase withthe LSCF formalism, THEOR CH AC, 101(1-3), 1999, pp. 241-245
Arginine 197 of the cholecystokinin-A receptor binding site interacts withthe sulfate of the peptide agonist cholecystokinin
Authors: Gigoux, V Maigret, B Escrieut, C Silvente-Poirot, S Bouisson, M Fehrentz, JA Moroder, L Gully, D Martinez, J Vaysse, N Fourmy, D
Citation: V. Gigoux et al., Arginine 197 of the cholecystokinin-A receptor binding site interacts withthe sulfate of the peptide agonist cholecystokinin, PROTEIN SCI, 8(11), 1999, pp. 2347-2354
Visualisation and integration of G protein-coupled receptor related information help the modelling: Description and applications of the Viseur program
Authors: Campagne, F Jestin, R Reversat, JL Bernassau, JM Maigret, B
Citation: F. Campagne et al., Visualisation and integration of G protein-coupled receptor related information help the modelling: Description and applications of the Viseur program, J COMPUT A, 13(6), 1999, pp. 625-643
Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study
Authors: Chipot, C Maigret, B Pohorille, A
Citation: C. Chipot et al., Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study, PROTEINS, 36(4), 1999, pp. 383-399
Molecular modelling of the ORL1 receptor and its complex with nociceptin (vol 11, pg 1163, 1998)
Authors: Topham, CM Mouledous, L Poda, G Maigret, B Meunier, JC
Citation: Cm. Topham et al., Molecular modelling of the ORL1 receptor and its complex with nociceptin (vol 11, pg 1163, 1998), PROTEIN ENG, 12(10), 1999, pp. 893-893
Theoretical study of arginine-carboxylate interactions
Authors: Melo, A Ramos, MJ Floriano, WB Gomes, JANF Leao, JFR Magalhaes, AL Maigret, B Nascimento, MC Reuter, N
Citation: A. Melo et al., Theoretical study of arginine-carboxylate interactions, THEOCHEM, 463(1-2), 1999, pp. 81-90
Constitutive activation of the human bradykinin B-2 receptor induced by mutations in transmembrane helices III and VI
Authors: Marie, J Koch, C Pruneau, D Paquet, JL Groblewski, T Larguier, R Lombard, C Deslauriers, B Maigret, B Bonnafous, JC
Citation: J. Marie et al., Constitutive activation of the human bradykinin B-2 receptor induced by mutations in transmembrane helices III and VI, MOLEC PHARM, 55(1), 1999, pp. 92-101
Evidence for a direct interaction between the penultimate aspartic acid ofcholecystokinin and histidine 207, located in the second extracellular loop of the cholecystokinin B receptor
Authors: Silvente-Poirot, S Escrieut, C Gales, C Fehrentz, JA Escherich, A Wank, SA Martinez, J Moroder, L Maigret, B Bouisson, M Vaysse, N Fourmy, D
Citation: S. Silvente-poirot et al., Evidence for a direct interaction between the penultimate aspartic acid ofcholecystokinin and histidine 207, located in the second extracellular loop of the cholecystokinin B receptor, J BIOL CHEM, 274(33), 1999, pp. 23191-23197
Arginine 336 and asparagine 333 of the human cholecystokinin-A receptor binding site interact with the penultimate aspartic acid and the C-terminal amide of cholecystokinin
Authors: Gigoux, V Escrieut, C Fehrentz, JA Poirot, S Maigret, B Moroder, L Gully, D Martinez, J Vaysse, N Fourmy, D
Citation: V. Gigoux et al., Arginine 336 and asparagine 333 of the human cholecystokinin-A receptor binding site interact with the penultimate aspartic acid and the C-terminal amide of cholecystokinin, J BIOL CHEM, 274(29), 1999, pp. 20457-20464
Modeling enzyme-inhibitor interactions in serine proteases
Authors: Ramos, MJ Melo, A Henriques, ES Gomes, JANF Reuter, N Maigret, B Floriano, WB Nascimento, MAC
Citation: Mj. Ramos et al., Modeling enzyme-inhibitor interactions in serine proteases, INT J QUANT, 74(3), 1999, pp. 299-314
Risultati: 1-25 | 26-27