Computer modeling of carbohydrate molecules : 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 /
| Corporate Authors: | , , , |
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| Other Authors: | , |
| Format: | eBook |
| Language: | English |
| Published: |
Washington, DC :
American Chemical Society,
1990.
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| Series: | ACS symposium series ;
430. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
Table of Contents:
- 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.