MEL Publications

B. B. Goldman, W. T. Wipke, "QSD Quadratic Shape Descriptors .2. Molecular Docking Using Quadratic Shape Descriptors (QSDock)", Proteins 1999, in press.

B. B. Goldman, W. T. Wipke, "QSD Quadratic Shape Descriptors .1. Rapid Superposition of Dissimilar Molecules using Geometrically Invariant Surface Descriptors," J. Chem. Inf. Comput. Sci., 39, 1999, in press.

J. Lawton, M. Tudor, W. T. Wipke, "The Basic Shape Topology of Protein Interfaces" in Rational Drug Design: Novel Methodology and Practical Application, ed. by A. Parrill, American Chemical Society, Washington, DC, 1999, Symposium Series, in press.

G. B. Fisher, J. J. Juarez-Brambila, C. T. Goralski, W. T. Wipke, and B. Singaram, "Novel Conversion of Aldehydes to Boronic Esters. Simultaneous IGOR2 Computer Generation and Experimental Observation of an Unusual Rearrangement of alpha-Aminoboranes," J. Am. Chem. Soc. 115, 440, 1993.

W. T. Wipke and M. A. Hahn, "Analogy and Intelligence in Molecular Model Building," in Artificial Intelligence Applications in Chemistry, ed. by T. Pierce and B. Hohne (American Chemical Society, Washington, DC, 1986), Symposium Series no. 306, pp. 136.

W. T. Wipke and D. Rogers, "Artificial Intelligence in Organic Synthesis. SST: Starting Material Selection Strategies: An Application of Superstructure Search," J. Chem. Inf. Comput. Sci. 24, 71, 1984.


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Molecular Engineering Laboratory
Department of Chemistry and Biochemistry
University of California, Santa Cruz 95064
Physical Sciences 330, (831)-459-2874
Last Modified by Evans on November 2, 2001