PUBLICATIONS DU LEDSS

 

 

 

 

 

 

PUBLICATIONS DU CERMAV

 

 

    1. S. Raymond, A. Heyraud, D. Tran Qui, Å. Kvick & H. Chanzy "Crystal and molecular structure of beta-D-celloteraose hemihydrate as a model of cellulose II" Macromolecules, 1995, 28, 2096-2100

    2. I. Tvaroska & J.P. Carver "Ab initio molecular orbital calculation of carbohydrate model compounds. 3. Effect of the electric field on conformations about the glycosidic linkage" J. Phys. Chem, 1995, ., 99-6234-6241

    3. S. Woodcock, B. Henrissat & J. Sugiyama "Docking of congo red to the surface of crystalline cellulose using molecular mechanics" Biopolymers, 1995, 36, 201-210

    4. J.F. Bergamini, C. Boisset, K. Mazeau, A. Heyraud & F.R. Taravel "Conformational behavior of oligo-galactomannan chains inferred from NMR spectroscopy and molecular modeling" New J. Chem., 1995, 19, 115-127

    5. B. Henrissat, I. Callebaut, S. Fabrega, P. Lehn, J.P. Mornon & G. Davies "Conserved catalytic machinery and the prediction of a common fold for several families of glycosyl hydrolases" Proc. Natl. Acad. Sci. USA, 1995, 92, 7090-7094

    6. I. Andre, K. Mazeau, F.R. Taravel & I. Tvaroska "NMR and molecular modelling of sophorose and sophorotriose in solution" New J. Chem., 1995, 19, 331-339

    7. I. Andre, K. Mazeau, F.R. Taravel & I. Tvaroska "Conformation and dynamics of a cyclic (1->2)-beta-D-glucan" Int. J. Biol. Macromol., 1995, 17, 189-19

    8. F.R. Taravel, K. Mazeau & I. Tvaroska "Conformational analysis of carbohydrates inferred from NMR spectroscopy and molecular modelling. Applications to the behavior of oligo-galactomannan chains" Braz. J. Med. Biol. Res., 1995, 28, 723-732

    9. C. Fringant, I. Tvaroska, K. Mazeau, M. Rinaudo & J. Desbrieres "Hydration of alpha-maltose and amylose: molecular modelling and thermodynamics study" Carbohydr. Res. 1995, 278, 27-41

    10. S. Raymond, B. Henrissat, D. Tran Qui, Å. Kvick & H. Chanzy "The crystal structure of methyl beta-cellotrioside monohydrate 0.25 ethanolate and its relationship to cellulose II" Carbohydr. Res. 1995, 277, 209-229

    11. S. Raymond, Å. Kvick & H. Chanzy "The structure of cellulose II: a revisit" Macromolecules 1995, 28, 8422-8425

    12. I. Tvaroska & F.R. Taravel "Carbon-proton coupling constant in the conformational analysis of sugar molecules" Advances in Carbohydrate Chemistry and Biochemistry, Derek Horton ed., Academic Press, , 1995, 5, 15-61

    13. C. Gouvion, K. Mazeau & I. Tvaroska "The role of chemical structure on the stereochemistry of the alpha-(1-4) diaxial glycosidic linkage" J. Mol. Struct. 1995, 344, 157-170

    14. M.T. Semertzidis, E. Thoreau, B. Henrissat, I. Callebaut & J.P. Mornon "Visualisation of protein sequences using the two-dimensional hydrophobic Cluster analysis method" dans/inVisualizing Biological Information, Pickover Ed., World Scientific Publishing, Singapour, 1995, 129-144

    15. I. Andre, J.L. Putaux, H. Chanzy, F.R. Taravel, J.W. Timmermans, D. De Wit "Single crystals of inulin" Int. J. Biol. Macromol., 1996, 18, 195-204

    16. M. Milas, W. Reed & S. Printz "Conformations and flexibility of native and re-natured xanthan in aqueous solutions" Int. J. Biol. Macromol., 1996, 18, 211-221

    17. I. Andre, K. Mazeau, I. Tvaroska, J.L. Putaux, W.T. Winter, F.R. Taravel & H. Chanzy "Molecular and crystal structures of inulin from electron diffraction data" Macromolecules, 1996, 29, 4626-4635

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    18. K. Mazeau, F.R. Taravel & I. Tvaroska "Angular dependence of the C-6 chemical shift and the conformation of the hydroxymethyl group in carbohydrates" Chem. Papers, 1996, 50, 77-83

    19. S.B. Engelsen, S. Cros, W. Mackie & S. Perez "A molecular builder for carbohydrates: application to polysaccharides and complex carbohydrates" Biopolymers, 1996, 39, 417-433

    20. S. Perez & A. Imberty "Structural features of starch" Carbohydrates in Europe, 1996, 15, 17-21

    21. S.B. Engelsen & S. Perez "The Hydration of Sucrose" Carbohydrate Research, 1996, 292, 21-38

    22. C. Rochas & F.R. Taravel "Polysaccharide-polysaccharide interactions" Polymeric Materials Encyclopedia, vol. 9, J.C. Salamone, CRC Press, 1996, 6704-6712

    23. A. Gohier, J. F. Espinoza, J. Jimenez-Barbero, P-A. Carrupt, S. Perez & A. Imberty "Knowledge-based modeling of a legume lectin and docking of the carbohydrate ligand: the Ulex europaues lectin I and its interaction with fucose" J. Mol. Graphics, 1996, 14, 322-327

    24. S. Perez, M. Kouwijzer, K. Mazeau & S.B. Engelsen "Modeling polysaccharides: present status and challenges" J. Mol. Graphics, 1996, 14, 307-321

    25. F. Casset, A. Imberty, S. Perez, M.E. Etzler, H. Paulsen & T. Peters "Transferred nuclear Overhauser enhancement (NOE) and rotating-frame NOE experiments reflect the size of the bound segment of the Forssman pentasaccharide in the binding site of Dolichos biflorus lectin" Eur. J. Biochem., 1997, 244, 242-250

    26. J.Y. Le Questel, N. Mouhous-Riou, B. Boubia, S. Samreth, V. Barberousse & S. Perez "The crystal and molecular structures of 4-cyanophenyl 1,5-dithio-beta-D-xylopyranoside S-5 oxide and 4-ethyl-2-oxo-2H-1-benzopyran-7-yl-5-thio-beta-D-xylopyranoside S-5 oxide" Carbohydr. Res., 1997, 302, 53-66

    27. L. Catoire, I. Braccini, N. Bouchemal-Chibani, L. Jullien, C. Herve du Penhoat & S. Perez "NMR analysis of carbohydrates with model-free spectral densities: the dispersion range revisited" Glycoconjugate J., 1997, 14, 935-943

    28. T. Sokolowski, T. Peters, S. Perez & A. Imberty "Conformational analysis of biantennary glycans and molecular modeling of their complexes with lentil lectin" J. Mol. Graph. Model, 1997, 15, 37-42

    29. B. Boutherin, K. Mazeau & I. Tvaroska "Conformational statistics of pectin substances in solution by a metropolis Monte Carlo study" Carbohydr. Polym., 1997, 32, 255-266

    30. S. Cros, M. Petitou, P. Sizun, S. Perez & A. Imberty "Combined NMR and molecular modeling study of an iduronic acid-containing trisaccharide related to antithrombotic heparin fragments" Bioorg. Med. Chem., 1997, 5, 1301-1309

    31. A. Imberty "Oligosaccharide structures: theory versus experiment" Curr. Op. Struct. Biol., 1997, 7, 617-623

    32. S.B. Engelsen & S. Perez "Internal motions and hydration of sucrose in a diluted water solution" J. Mol. Graphics Mod., 1997, 15, 122-131

    33. I. Mila, P. Laouenan, V. Michon, C. Herve du Penhoat & A. Scalbert "NMR structural investigations and conformational analysis of condensed tannins. A continuing challenge due to the restricted rotation about the interflavanoid linkage" Analusis, 25, 1997, 29-32

    34. A. Imberty, V. Piller, F. Piller & C. Breton "Fold recognition and molecular modeling of a lectin-like domain inUDP-GalNAc: polypeptide N-acetylgalactosaminyl transferases" Protein Engineer., 1997, 10, 1353-1356

      35.  

    35. A. Imberty & S. Perez "Traveling through the potential energy surface of Sialyl Lewis X." Carbohydrate Mimics. Concepts and Methods, Chapleur Y. Ed., Wiley VCH, Weinheim, 1998, 349-364

    36. A. Imberty, A. Gohier, E. Jordan, I.J. Goldstein & S. Perez "Molecular modeling of native and mutated lima bean lectin: dissection of lectin/blood group A trisaccharide interactions" Internet Journal of Chemistry, 1998, 1, 10

    37. I. Braccini, A. Heyraud & S. Perez "Three-dimensional features of the bacterial polysaccharide (1->4)-ß-D-glucunonan: a molecular modeling study" Biopolymers, 1998, 45, 165-175

    38. J.F. Espinosa, E. Montero, A. Vian, J.L. Garcia, H. Dietrich, R. Schmidt, M. Martin-Lomas, A. Imberty, F.J. Canada & J. Jimenez-Barbero "Escherichia coli ß-galactosidase recognizes a high-energy conformation of C-lactose, a nonhydrolizable substrate analogue. NMR and modeling studies of the molecular complex" J. Amer. Chem. Soc. 1998, 120, 1309-1318

    39. J. Gruza, J. Koca, S. Perez & A. Imberty "Comparison of force-fiels parametrizations as applied to conformational analysis of ribofuranosides" J. Mol. Struct. (Theochem), 1998, 424, 269-280

    40. C. Herve du Penhoat, S. Engelsen, D. Plusquellec & S. Perez "A structural study of 2-O-lauroylsucrose with molecular modeling and NMR methods" Carbohydr. Res., 1998, 305, 131-145

    41. C. Breton, E. Bettler, D.H. Joziasse, R.A. Geremia & A. Imberty "Sequence-function relationships in prokaryotic and eukaryotic galactosyltransferase" J. Biochem., 1998, 123, 1000-1009

    42. I. Tvaroska & F.R. Taravel "Computer modeling of polysaccharide-polysaccharide interactions" dans Polysaccharides: Structural Diversity and Functional Versatility, S. Dumitriu Ed., Dekker, 1998, 173-210

    43. S. Spieser, K. Mazeau, M.C. Brochier, C. Gey, J.P. Utille, F.R. Taravel "Conformational properties of a cyclic oligosaccharide: the cyclotrikis-(1->6)-[alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl] case" Glycoconjugate J., 1998, 15, 511-521

    44. M. Kouwijzer & S. Perez " Molecular modeling of agarose helices, leading to the prediction of crystalline allomoporhs" Biopolymers, 1998, 46, 11-29

    45. A. Imberty, J. Gruza, N. Mouhous-Riou, B. Bachet & S. Perez "The crystal and molecular structure of a diglycosylamine: the N-analogue of peracetylated alpha,beta-trehalose" Carbohydr. Res., 1998, 311, 135-146

    46. K. Mazeau & S. Perez "The preferred conformations of the four oligomeric fragments of Rhamnogalacturonan II" Carbohydr. Res, 1998, 311, 203-217

    47. C. Petkowicz, F. Reicher, K. Mazeau "Conformational analysis of galactomannans: from oligomeric segments to polymeric chains" Carbohydr. Polym, 1998, 37, 25-39

    48. S. Perez, A. Imberty, S. Engelsen, J. Gruza, K. Mazeau, J. Jimenez-Barbero, A. Poveda, J.F. Espinosa, B. van Eyck, G. Jonhson, A. French, M. Kouwijzer, D. Grootenhuis, A. Bernardi, L. Raimondi, H. Senderowitz, V. Durier, G. Vergoten, & K.Rasmussen "A comparison and chemometric analysis of several molecular mechanics force fields and parameters sets applied to carbohydrates" Carbohydr. Res., 1998, 314, 141-155

    49. C.A. Bush, M. Martin-Pastor & A. Imberty "Structure and conformation of complex carbohydrates of glycoproteins, glycolipids and bacterial polysaccharides" Annu. Rev. Biophys. Biomol. Struct., 1999, 28, 269-293

      50.  

    50. T.W. Hamelryck, R. Loris, J. Bouckaert, M.H. Dao Thi, G. Strecker, A. Imberty, E. Fernandez, L. Wyns & M.E. Etzler "Carbohydrate binding, quaternary structure and a novel hydrophobic binding site in two legume lectin oligomers from Dolichos biflorus" J. Mol. Biol., 1999, 286, 1161-1177

    51. R. Oriol, R. Mollicone, A. Cailleau, L. Balanzino & C. Breton "Divergent evolution of fucosyltransferase genes from vertebrates, invertebrates and bacteria" Glycobiology, 9, 1999, , 4, 323-334

    52. C.L.O. Petkowicz, M. Rinaudo, M. Milas, K. Mazeau, T. Bresolin, F. Reicher & J.L.M.S. Ganter "Conformation of galactomanan, experimental and modeling approaches" Food Hydrocoll., 1999, 13, 263-266

    53. E. Tylianakis, A. Spyros, P. Dais, F.R. Taravel & A. Perico "NMR study of the rotational dynamics of linear homopolysaccharides in dilute solutions as a function of linkage position and stereochemistry" Carbohydr. Res., 1999, 315, 16-34

    54. A. Imberty, C. Monier, E. Bettler, S. Morera, P. Freemont, M. Sippl, H. Flöckner, W. Rüger & C. Breton "Fold recognition study of a3-galactosyltransferase and molecular modeling of the nucleotide sugar-binding domain" Glycobiology., 1999, 9, 713-722

    55. P. Petrova, J. Koca & A. Imberty "Potential energy hypersurfaces of nucleotide-sugars. Ab-initio calculations, force-field parameterization and exploration of flexibility" J. Am. Chem. Soc., 1999, 121, 5535-5547

    56. N. Navarre, N. Amiot, A. Van Oijen, A. Imberty, A. Poveda, J. Jimenez-Barbero, A. Cooper, M.A. Nutley & G.J. Boons "Synthesis and conformational analysis of a conformationnally constrained trisaccharide and complexation properties with Concanavalin A" Chemistry Eur. J., 1999, 5, 2281-2294

    57. A. Imberty , E. Bettler, M. Karababa, K. Mazeau, P. Petrova & S. Perez "Building sugars: The sweet part of structural biology" Perspectives in Structural Biology, M. Vijayan, N. Yathindra & A.S. Kolaskar, Eds., Indian Academy of Sciences and Universities Press, Hyderabad., 1999, 392-409.

    58. S. Perez & M.L. Kouwijzer "Shapes and interactions of polysaccharide chains" Carbohydrates. Structures, Dynamics and Syntheses, P. Finch Ed., Kluwer Pubs., 1999, ch. 7, 258-293.

    59. P.H. Buist, B. Behrouzian, K.D. Maclsaac, S. Cassel, P. Rollin, A. Imberty, C. Gautier, S. Perez & P. Genix "Stereochemical analysis of d-glucopyranosyl-sulfoxides via a combined NMR, molecular modeling and x-ray crystallographic approach" Tetrahedron Assym.., 1999, 10, 2881-2889.

    60. A.C. O'sullivan & S. Perez "The relationship between internal chain length and crystallinity in starch Biopolymers, 1999, 50, 381-390.

    61. P. Langan, Y. Nishiyama & H.Chanzy "A revised structure and hydrogen bonding system in cellulose II from a neutron fiber diffraction analysis" J. Am. Chem. Soc., 1999, 121, 9940-9946.

    62. S. Perez, K. Mazeau & C. Herve du Penhoat "The three-dimensional structures of the pectic polysaccharides" Plant Physiol. Biochem., 2000, 38, 37-55

PUBLICATIONS DU LABORATOIRE DE CRISTALLOGRAPHIE

    1. J. Tobola, M. Bacmann, D. Fruchart, S. Kaprzyk, A. Koumina, S. Niziol, J.L. Soubeyroux, P. Wolfers et R. Zach Magnetism of Fe2P investigated by neutron experiments and band structure calculations EMMA'95, Eurpoean Magnetic Mateirials and Applications Conference, Vienna, Austria, 4-8 Septembre, 1995, J Magn Magn Mater, 1996, 158, 708-710

    2. J.F. Nicoud, R. Masse, C. Bourgogne et C. Evans, Perfect layered arrangement of ion-paired chromophores in a crystalline non-linear optical organic salt: 2-amino-3-nitropyridinium chloride, J Mater Chem, 7, 1997, 1, 35-39

    3. R. Zach, S. Kaprzyk, S. Niziol, J. Tobola, M. Bacmann, D. Fruchart et P. Wolfers Magnetoelastic properties of MnRhAs1-xPx and band structure results from KKR-CPA, Acta Phys Pol A, 91, 1997, 2, 471-474

    4. C.C. Evans, M. Bagieu-Beucher, R. Masse et J.F. Nicoud, Nonlinearity enhancement by solid-state proton transfer: A new strategy for the design of nonlinear optical materials, Chem Mater, 10, 1998, 3, 847-854

    5. C. Bourgogne, Y. Le Fur, P. Juen, P. Masson, J.F. Nicoud, R. Masse, Tetra(4-methoxyphenyl)phosphonium iodide : a twinned crystal built up with three-dimensional octupolar nonlinear optical chromophores, Chem. Mater., 2000, 1025-1033, 12.

    6. M. Jacob, Alain Mosset, Les surfaces minimales périodiques : un nouvel outil pour l'enseignement de la chimie structurale. L'actualité chimique, Mars 2000, 41-45.

 

PUBLICATIONS DU DPM

    1. D. Tranqui, J.A. Hermoso, M.T. Averbuch, G. Tamagnan, G. Leclerc, M. Cussac, A new approach to structure resolution by molecular dynamics: variable force constants strategy, Acta Cryst., 1995, B51, 76-80.

    2. G. Tamagnan, J.A. Duret, M. Cussac, G. Leclerc, J.A. Hermoso, M.T. Averbuch, D. Tranqui, F. Thomasson, ,Synthesis, NMR, Modeling and X-ray analysis of a new 1,2,3--tri(4-quinolyl) cyclopropane, Bull. Soc. Chim. Fr., 1995, 132, 417-422.

    3. E. Nicolle, P. Maldivi, M. Benoit-Guyot, A. Namil, M. Cussac, G. Leclerc, NMR and computer modeling studies of N-benzyl, N-n-propyl(2-methyl-3-nitrophenyl) acetamide, Bull. Soc. Chim. Fr., 1995, 132, 669-674.

    4. D. Tranqui , P. Fresneau and M. Cussac, (Z)-5-(1-methoxy-2-naphtylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3--acetic acid dimethyl sulfoxide solvate, Acta Cryst., 1998, C54, 1998,1152-1154.

    5. P. Fresneau, M. Cussac, J.M. Morand, B. Szymonski, D. Tranqui and G. Leclerc, Synthesis, Activity and Molecular Modeling of New 2,4-Dioxo-5-naphthylmethylene -3-thiazolidineacetic Acids and 2-Thioxo Analogues as Potent Aldose Reductase Inhibitors, J. Med. Chem., 1998, 41, 4706-4715.

    6. J.Chang-Fong, K.Benamour, B.szymonski, F. Thomasson, J.M. Morand and M. Cussac, Synthesis and a - adrenergic binding ligand affinities of 2-iminoimidazolidine derivatives, Chem. Pharm. Bull., 2000, (mars)