Computer Modeling of Carbohydrate Molecules by Alfred D. French and John W. Brady (Eds.)

By Alfred D. French and John W. Brady (Eds.)

content material: laptop modeling of carbohydrates : an creation / Alfred D. French and J.W. Brady --
Experimental and theoretical bases for actual modeling : an experimentalist seems to be at modeling / G.A. Jeffrey --
"Modified overlook of diatomic overlap"-type semiempirical equipment / Kenneth M. Dieter and James J.P. Stewart --
reasonable conformational modeling of carbohydrates : functions and boundaries within the context of carbohydrate-high polymers / David A. Brant and Marie D. Christ --
Molecular dynamics simulations of carbohydrates and their solvation / L.J. Madsen, S.N. Ha, V.H. Tran, and J.W. Brady --
Ab initio molecular orbital calculations on carbohydrates : conformational homes of deoxygenated furanose sugars / Eugenia C. Garrett and Anthony S. Serianni --
Modeling of glucopyranose : the versatile monomer of amylose / Alfred D. French, R.S. Rowland, and Norman L. Allinger --
Molecular modeling of acyclic carbohydrate derivatives N, N'-dimethyl- and N, N'-dihexylxylaramide : version compounds for man made poly(hexamethylenexylaramide) / L. Chen, B. Haraden, R.W. Kane, D.E. Kiely, and R.S. Rowland --
Solvent results on conformation of carbohydrates : molecular dynamics simulation of sorbitol, mannitol, and methoxytetrahydropyran / J. Raul Grigera --
Oligosaccharides in answer : conformational research through NMR spectroscopy and calculation / Igor Tvaroška, Tibor Kožár, and Miloš Hricovíni --
Optimized strength strength capabilities in conformational research of saccharides / Kjeld Rasmussen and Jesper Fabricius --
Conformational research of a disaccharide (cellobiose) with the molecular mechanics software (MM2) / Alfred D. French, V.H. Tran, and Serge Pérez --
Conformational flexibility of sucrose : static and dynamical modeling / V.H. Tran and J.W. Brady --
Molecular modeling experiences on unbranched advanced carbohydrates : program to a linkage sector fragment from connective tissue proteoglycans / N. Rama Krishna, Bo-Young Choe, and Stephen C. Harvey --
Molecular mechanics NMR pseudoenergy protocol to figure out resolution conformation of complicated oligosaccharides / J. Neel Scarsdale, Preetha Ram, James H. Prestegard, and Robert okay. Yu --
Conformational research of oligosaccharides : reconciliation of concept with scan / J.P. Carver, D. Mandel, S.W. Michnick, A. Imberty, and J.W. Brady --
Modeling of interactions of polysaccharide chains : program to crystalline polymorphism of starch granules / Serge Pérez, A. Imberty, and Raymond P. Scaringe --
a brand new new release of gel-forming polysaccharides : an X-ray research / R. Chandrasekaran and V.G. Thailambal --
Polysaccharide buildings : X-ray fiber diffraction stories / R.P. Millane --
Molecular mechanics and the constitution of iduronate-containing carbohydrates / M. Ragazzi, A. Provasoli, and D.R. Ferro --
Modeling in crystal constitution research of polysaccharides / A. Sarko, C.-H. Chen, B.J. Hardy, and F. Tanaka --
laptop simulation of protein-carbohydrate complexes : program to concanavalin A and L-arabinose-binding protein / V.S.R. Rao, B.V.S. Reddy, C. Mukhopadhyay, and M. Biswas --
Lysozyme hydrolysis of [beta]-glycosides : a consensus among binding interactions and mechanism / Carol Beth put up, Christopher M. Dobson, and Martin Karplus.

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J. S. J. Phys. Chem. 1985, 89, 2145. 11. 1, June 1988. 12. Available through QCPE, Department of Chemistry, Indiana University, Bloomington, IN 47405. 13. Available through QCPE. 14. Koopmans, T. Physica (Utrecht) 1934, 1, 104. 15. Stewart, J. J. P. New Polymeric Materials 1987, 1, 53. 16. Klei, Η. ; Stewart, J. J. P. Int. J. Quant. Chem. 1986, 20, 529. ; ACS Symposium Series; American Chemical Society: Washington, DC, 1990. ch004 David A. Brant and Marie D. Christ Department of Chemistry, University of California, Irvine, CA 92717 Computer modeling has become a valuable component of studies of carbohydrate structure-property relationships.

Allen, F. ; Taylor, R. Accts. Chem. Res. 1983, 16, 146-53. 5. Jones, P. J. Chem. Soc. Rev. 1984, 13, 157-72. 6. Jeffrey, G. ; Pople, J. ; Radom, L. Carbohydr. Res. 1972, 25, 117-31. 7. Jeffrey, G. ; Pople, J. ; Radom, L. Carbohydr. Res. 1974, 38, 81-95. 8. Jeffrey, G. ; Pople, J. ; Binkley, J. ; Vishveshwara, S. J. Amer. Chem. Soc. 1978, 100, 373-79. 9. Lemieux, R. ; Chu, W. J. Abstr. Papers Am. Chem. Soc. 1958, 133, S1N. 10. Berman, H. ; Chu, S. S. ; Jeffrey, G. A. Nature. 1967, 157, 1576-77. 11.

A. Nature. 1967, 157, 1576-77. 11. Jeffrey, G. A. In Anomeric Effect. Origin and Consequences: Szarek, W. ; Am. Chem. Soc. Symposium Series, 1979, No. 87. 12. ; Saenger, W. Biochem. Biophys. Acta 1981, 678, 408-12. 13. Rees, D. ; Smith, P. J. C. J. Chem. Soc. Perkin II, 1975, 830-35. 14. ; Bundle, D. ; Garegg, P. ; Lindberg, Α. ; Svenson, S. B. Carbohydr. Res. 1984, 130, 23-34. 15. Brady, J. W. J. Am. Chem. Soc. 1986,108, 8153-60. 16. Engler, E. ; Andose, J. ; von Schleyer, P. R. J. Am. Chem. Soc.

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