Publications

Conformational Flexibility of Soluble Cellulose Oligomers: Chain Length and Temperature Dependence - (Peer Reviewed Journal) - (01-Sep-09)

Comparison of different force fields for the study of disaccharides - (Peer Reviewed Journal)

Stortz, C.A., Johnson, G.P., French, A.D., Csonka, G.I. 2009. Comparison of different force fields for the study of disaccharides. Carbohydrate Research. http://dx.doi.org/10.1016/j.carres.2009.08.019

Twisting of glycosidic bonds by hydrolases - (Peer Reviewed Journal)

Johnson, G.P., Peterson, L., French, A.D., Reilly, P. 2009. Twisting of glycosidic bonds by hydrolases. Carbohydrate Research. http://dx.doi.org/10.1016/j.carres.2009.08.011

Cellulose and the 2-fold screw axis: Modeling and experimental arguments - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 0200. Cellulose and the 2-fold screw axis: Modeling and experimental arguments. Cellulose. Available: http://www.springerlink.com/content/j724t463315n1451/fulltext.html

Evaluation of Density Functionals and Basis Sets for Carbohydrates - (Peer Reviewed Journal)

Csonka, G.I., French, A.D., Johnson, G.P., Stortz, C.A. 2009. Evaluation of Density Functionals and Basis Sets for Carbohydrates. Journal of Chemical Theory and Computation. 5(4):679-682.

Diffraction from Model Crystals - (Proceedings/Symposium)

2009. DIFFRACTION FROM MODEL CRYSTALS. National Cotton Council Beltwide Cotton Conference. p.1407-1409.

Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta - (Peer Reviewed Journal)

Nishiyama, Y., Johnson, G.P., French, A.D., Forsyth, T., Langans, P. 2008. Neutron Crystallography, Molecular Dynamics, and Quantum Mechanics Studies of the Nature of Hydrogen Bonding in Cellulose I beta. Biomacromolecules. 9:3133-3140.

Comparisons of experiment with cellulose models based on electronic structure and empirical force field theories - (Abstract)

French, A.D., Johnson, G.P. 2008. Comparisons of experiment with cellulose models based on electronic structure and empirical force field theories. (Meeting Abstract). American Chemical Society AGFD 230.

Update on models of cellulose crystals - (Proceedings/Symposium)

French, A.D., Johnson, G.P. 2008. Update on models of cellulose crystals. Meeting Proceedings. p 1806-1811

Stability of two-fold screw axis structures for cellulose - (Abstract)

French, A.D., Johnson, G.P. 2008. Stability of two-fold screw axis structures for cellulose. Meeting Abstract.CARB 42.

Roles of starting geometries in quantum mechanics studies of cellobiose - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 2008. Roles of starting geometries in quantum mechanics studies of cellobiose. Molecular Simulation.Vol. 34, No. 4, April 2008, 365¿372.

Linkage and pryanosyl ring twisting in cyclodextrins - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 2007. Linkage and pryanosyl ring twisting in cyclodextrins. Carbohydrate Research. v. 342(9). p. 1223-1237.

Octa-O-propanoyl-B-maltose: crystal structure, acyl stacking, related structures and conformational anaylsis - (Peer Reviewed Journal)

Johnson, G.P., Stevens, E.D., French, A.D. 2007. Octa-O-propanoyl-B-maltose: crystal structure, acyl stacking, related structures and conformational anaylsis. Carbohydrate Research. v. 342(9). p. 1210-1222.

Modeling of Cellulose Crystals - (Proceedings/Symposium)

French, A.D., Woods, R.J., Johnson, G.P. 2007. Modeling of Cellulose Crystals. National Cotton Council Beltwide Cotton Conference. 1261-1268

Paradigm for Improving Catalytic Ability of Industrial Enzymes: Linkage Distortions of Carbohydrates in Complexes with Crystalline Proteins - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 2007. Paradigm for Improving Catalytic Ability of Industrial Enzymes: Linkage Distortions of Carbohydrates in Complexes with Crystalline Proteins. American Chemical Society Symposium Series. 972:207-219.

Modeling of Cellulose Crystals - (Abstract)

French, A.D., Johnson, G.P., Woods, R.J. Modeling of cellulose crystals. Carbohydrate International Symposium. Paper No. PS75. Whistler, CA. July 2006.

Quantum Mechanical Conformation Analyses of Cellobiose - (Abstract)

French, A.D., Johnson, G.P. 2006. Quantum mechanical conformation analyses of cellobiose. European Carbohydrate Symposium. 84(4). p. 603-612.

Cellulose Shapes - (Book/Chapter)

French, A.D., Johnson, G.P. Cellulose shapes. In R.M. Brown, I.M. Saxena editors. Cellulose: Molecular and Structural Biology. Springer, Dordrecht. pp. 257-284.

Roles of Starting Geometries in Quantum Mechanics Studies of Cellobiose - (Abstract)

French, A.D., Johnson, G.P. 2006. Roles of starting geometries in quantum mechanics studies of cellobiose. American Chemical Society Abstracts. CELL 16.

Quantum Mechanics Studies of Cellobiose Conformations - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 2006. Quantum Mechanics Studies of Cellobiose Conformations. Canadian Journal of Chemistry. 84:603-612

Preliminary Modulus and Breakage Calculations on Cellulose Models - (Abstract)

French, A.D., Johnson, G.P. Preliminary modules and breakage calculations on cellulose models. CD-ROM. San Antonio, TX. Beltwide Cotton Conference. p. 2410.

Conformational Study of Cellobiose by Qm Theory - (Abstract)

French, A.D., Johnson, G.P. Conformational study of cellobiose by qm theory. Carbohydrate International Symposium. 2005. Abstr. No. OP9.

Linkage Distortion Energies for Carbohydrates in Complexes with Crystalline Proteins: Basic Research for Future Innovations of Industial Enzymes - (Abstract)

French, A.D., Johnson, G.P., Lauterbach, B., Reilly, P. Linkage distortion energies for carbohydrates in complexes with crystalline proteins: Basic research for future innovations of industial enzymes. 2005. Abstract No. CARB51.

Determining the Crystal Structure of Cellulose III by Modeling - (Peer Reviewed Journal)

Ford, Z.M., Stevens, E.D., Johnson, G.P., French, A.D. Determining the crystal structure of cellulose iii by modeling. Carbohydrate Research. 2005. v. 340(5). p. 827-833.

The External-Anomeric Torsional Effect - (Peer Reviewed Journal)

Lii, J., Chen, K., Johnson, G.P., French, A.D., Allinger, N.L. 2005. The External-Anomeric Torsional Effect. Carbohydrate Research. 340(5):853-862.

Fluorinated Cellobiose and Maltose As Stand-Ins for Energy Surface Calculations - (Peer Reviewed Journal)

French, A.D., Johnson, G.P., Kelterer, A., Csonka, G. Fluorinated cellobiose and maltose as stand-ins for energy surface calculations. Tetrahedron Asymmetry. 2005. v. 16(2). p. 577-586.

Advanced Conformational Energy Surfaces for Cellobiose - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. Advanced conformational energy surfaces for cellobiose. Cellulose. 2004. v. 11(3-4). p. 449-462.

The Shape of Sucrose Molecules - (Proceedings/Symposium)

French, A.D., Johnson, G.P., Kelterer, A., Cramer, C.J. The shape of sucrose molecules. Proceedings of Sugar Processing Research Conference. 2004. p. 417-427.

Convergence of Experimental and Computational Structures for Cellulosic Molecules - (Abstract)

French, A.D., Johnson, G.P. 2004. Convergence of experimental and computational structures for cellulosic molecules [abstract]. American Chemical Society Abstracts. Paper No. CELL123.

Predicting Polysaccharide Structures with Small-Molecule Crystals - (Abstract) - (29-Aug-03)

What Crystals of Small Analogs Are Trying to Tell Us About Cellulose Structure - (Peer Reviewed Journal)

French, A.D., Johnson, G.P. 2004. What crystals of small analogs are trying to tell us about cellulose structure. Cellulose. 11:5-22.

Perfluorinated Cellobiose As a Theoretical Model for Cellulose and Related Disaccharides - (Abstract)

French, A.D., Kelterer, A., Johnson, G.P. 2004. Perfluorinated cellobiose as a theoretical model for cellulose and related disaccharides [abstract]. Carbohydrate International Symposium. p. 39.

Crystall Structure of Beta-D-Galactose Penta-Acetate with Modeling of the Conformation of the Acetate Groups - (Peer Reviewed Journal) - (01-Jun-02)

Incremented Alkyl Derivatives Enhance Collision Induced Glycosidic Bond Cleavage in Mass Spectrometry of Disaccharides - (Peer Reviewed Journal)

Mendonca, S., Cole, R.B., Zhu, J., Cai, Y., French, A.D., Johnson, G.P., Laine, R.A. 2003. Incremented alkyl derivatives enhance collision induced glycosidic bond cleavage in mass spectrometry of disaccharides. American Society for Mass Spectrometry. 14:63-78.