عنوان

Computer modeling of carbohydrate molecules :

0841218056

9780841218055

b428573

Computer modeling of carbohydrate molecules :

[Book]

developed from a symposium sponsored by the ACS Divisions of Carbohydrate Chemistry ; Cellulose, Paper, and Textile Chemistry ; and Computers in Chemistry at the 197th national meeting, Dallas, Texas, April 9-14, 1989 /

Alfred D. French, editor, John W. Brady, editor.

Washington, DC :

American Chemical Society,

1990.

ix, 406 pages :

illustrations ;

24 cm.

ACS symposium series,

430

0097-6156 ;

Includes bibliographical references and indexes.

Computer modeling of carbohydrates : an introduction / Alfred D. French and J.W. Brady -- Experimental and theoretical bases for accurate modeling : an experimentalist looks at modeling / G.A. Jeffrey -- "Modified neglect of diatomic overlap"-type semiempirical methods / Kenneth M. Dieter and James J.P. Stewart -- Realistic conformational modeling of carbohydrates : applications and limitations in 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 properties of deoxygenated furanose sugars / Eugenia C. Garrett and Anthony S. Serianni -- Modeling of glucopyranose : the flexible 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 : model compounds for synthetic poly(hexamethylenexylaramide) / L. Chen, B. Haraden, R.W. Kane, D.E. Kiely, and R.S. Rowland -- Solvent effects on conformation of carbohydrates : molecular dynamics simulation of sorbitol, mannitol, and methoxytetrahydropyran / J. Raul Grigera -- Oligosaccharides in solution : conformational analysis by NMR spectroscopy and calculation / Igor Tvaroška, Tibor Kožár, and Miloš Hricovíni -- Optimized potential energy functions in conformational analysis of saccharides / Kjeld Rasmussen and Jesper Fabricius -- Conformational analysis of a disaccharide (cellobiose) with the molecular mechanics program (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 studies on unbranched complex carbohydrates : application to a linkage region fragment from connective tissue proteoglycans / N. Rama Krishna, Bo-Young Choe, and Stephen C. Harvey -- Molecular mechanics NMR pseudoenergy protocol to determine solution conformation of complex oligosaccharides / J. Neel Scarsdale, Preetha Ram, James H. Prestegard, and Robert K. Yu -- Conformational analysis of oligosaccharides : reconciliation of theory with experiment / J.P. Carver, D. Mandel, S.W. Michnick, A. Imberty, and J.W. Brady -- Modeling of interactions of polysaccharide chains : application to crystalline polymorphism of starch granules / Serge Pérez, A. Imberty, and Raymond P. Scaringe -- A new generation of gel-forming polysaccharides : an X-ray study / R. Chandrasekaran and V.G. Thailambal -- Polysaccharide structures : X-ray fiber diffraction studies / R.P. Millane -- Molecular mechanics and the structure of iduronate-containing carbohydrates / M. Ragazzi, A. Provasoli, and D.R. Ferro -- Modeling in crystal structure analysis of polysaccharides / A. Sarko, C.-H. Chen, B.J. Hardy, and F. Tanaka -- Computer simulation of protein-carbohydrate complexes : application 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 between binding interactions and mechanism / Carol Beth Post, Christopher M. Dobson, and Martin Karplus.

0

Computer modeling of carbohydrate molecules.

Carbohydrates-- Computer simulation, Congresses.

X200

Brady, John W.,1952-

French, Alfred D.,1943-

American Chemical Society., Cellulose, Paper, and Textile Division.

American Chemical Society., Division of Carbohydrate Chemistry.

American Chemical Society., Division of Computers in Chemistry.

American Chemical Society., Meeting(197th :1989 :, Dallas, Tex.)

20140210071037.0

[Book]

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