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Pure Appl. Chem., 1989, Vol. 61, No. 7, pp. 1201-1216

http://dx.doi.org/10.1351/pac198961071201

Computational methods for studying oligo- and polysaccharide conformations

I. Tvaroska

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  • Zhang M., Cui S.W., Cheung P.C.K., Wang Q.: Antitumor polysaccharides from mushrooms: a review on their isolation process, structural characteristics and antitumor activity. Trends in Food Science and Technology 2007, 18, 4. <http://dx.doi.org/10.1016/j.tifs.2006.07.013>
  • Almond A., Brass A., Sheehan J. K.: Dynamic exchange between stabilized conformations predicted for hyaluronan tetrasaccharides: Comparison of molecular dynamics simulations with available NMR data. Glycobiol 1998, 8, 973. <http://dx.doi.org/10.1093/glycob/8.10.973>
  • Mazeau Karim, Tvaroska Igor, Boutherin Bernard: Conformational statistics of pectin substances in solution by a Metropolis Monte Carlo study. Carbohyd Polymers 1997, 32, 255. <http://dx.doi.org/10.1016/S0144-8617(96)00161-0>
  • Tvaro��ka Igor, Carver Jeremy P., Ragazzi Massimo, Ferro Dino R., Senderowitz Hanoch, Fuchs Benzion: Ab initio molecular orbital calculation of carbohydrate model compounds 4. Flexibility of ��-type glycosidic bonds in carbohydrates. Journal of Molecular Structure: THEOCHEM 1997, 395-396, 1. <http://dx.doi.org/10.1016/S0166-1280(96)04674-X>
  • von der Lieth Claus-Wilhelm, Koz��r Tibor, Hull William E.: A (critical) survey of modelling protocols used to explore the conformational space of oligosaccharides. Journal of Molecular Structure: THEOCHEM 1997, 395-396, 225. <http://dx.doi.org/10.1016/S0166-1280(96)04953-6>
  • Kačuráková Marta, Mathlouthi Mohamed: FTIR and laser-Raman spectra of oligosaccharides in water: characterization of the glycosidic bond. Carbohydrates Research 1996, 284, 145. <http://dx.doi.org/10.1016/0008-6215(95)00412-2>
  • Dauchez Manuel, Derreumaux Philippe, Vergoten Gérard: Vibrational molecular force field of model compounds with biologic interest. II. Harmonic dynamics of both anomers of glucose in the crystalline state. J Comput Chem 1993, 14, 263. <http://dx.doi.org/10.1002/jcc.540140303>
  • Grootenhuis Peter D. J., Haasnoot Cornelis A. G.: A CHARMm Based Force Field for Carbohydrates Using the CHEAT Approach: Carbohydrate Hydroxyl Groups Represented by Extended Atoms. Molec Sim 1993, 10, 75. <http://dx.doi.org/10.1080/08927029308022160>
  • Tvaroska Igor, Rochas Cyrille, Taravel François-R., Turquois Tristan: Computer modeling of polysaccharide-polysaccharide interactions: An approach to the κ-carrageenan-mannan case. Biopolymers (Biospectroscopy) 1992, 32, 551. <http://dx.doi.org/10.1002/bip.360320511>
  • Mazeau Karim, Tvaroska Igor: PCILO quantum-mechanical relaxed conformational energy map of methyl 4-thio-α-maltoside in solution. Carbohydrates Research 1992, 225, 27. <http://dx.doi.org/10.1016/0008-6215(92)80037-2>
  • Ciuffreda Pierangela, Colombo Diego, Ronchetti Fiamma, Toma Lucio: Conformational analysis of the trisaccharide components of the repeating units of the capsular polysaccharides of Streptococcus pneumoniae types 19F and 19A. Carbohydrates Research 1992, 232, 327. <http://dx.doi.org/10.1016/0008-6215(92)80064-8>
  • Tvaroska Igor, Mazeau Karim, Blanc-Muesser Michèle, Lavaitte Stéphane, Driguez Hugues, Taravel François R.: Karplus-type equation for vicinal carbon-proton coupling constants for the CSCH pathway in 1-thioglycosides. Carbohydrates Research 1992, 229, 225. <http://dx.doi.org/10.1016/S0008-6215(00)90572-X>
  • Hricovíni Miloš, Tvaroška Igor, Hirsch Ján, Duben Anthony J.: Nuclear overhauser effects and the flexibility of saccharides: methyl β-xylobioside. Carbohydrates Research 1991, 210, 13. <http://dx.doi.org/10.1016/0008-6215(91)80109-Z>
  • Kožár Tibor, Tvaroška Igor: Theoretical studies on the conformation of saccharides. XIV. Structure and conformational properties of the glycosylamines. Biopolymers (Biospectroscopy) 1990, 29, 1531. <http://dx.doi.org/10.1002/bip.360291204>
  • Kožár Tibor, Petrák František, Gálová Zuzana, Tvaroška Igor: RAMM — A new procedure for theoretical conformational analysis of carbohydrates. Carbohydrates Research 1990, 204, 29. <http://dx.doi.org/10.1016/0008-6215(90)84018-P>
  • Hricovíni Miloš, Tvaroška Igor, Hirsch Ján: Solution behavior of methyl β-xylobioside: Conformational flexibility revealed by n.m.r. measurements and theoretical calculations. Carbohydrates Research 1990, 198, 193. <http://dx.doi.org/10.1016/0008-6215(90)84292-3>