Computer Modeling of Carbohydrate Molecules

Content: 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.