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Chemistry and Biochemistry
University of California
230 Physical Sciences Bldg.
Santa Cruz, CA 95064
Phone: (831) 459-4002
Fax: (831) 459-2935
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Todd Wipke Professor of Chemistry B.S., University of Missouri Ph.D., University of California, Berkeley Office: 340 PSB Phone: (831) 459-2397 Fax: (831) 459-2935 wipke@chemistry.ucsc.edu

Wipke Research Group Department of Chemistry University of California 1156 High Street Santa Cruz, CA 95064 Office Hours Class Times & Locations Labs: 335/341 PSB, 9-2874

RESEARCH INTERESTS: Organic Chemistry, Molecular Engineering, Synthesis Modeling, Drug Design

Todd Wipke is a computational chemist, primarily interested in computer-assisted design of drugs, molecular engineering, and expert systems in organic chemistry. He is imparting to the computer strategies of construction, knowledge of chemical transformations, and knowledge of how drugs bind to proteins. This work has useful application in the design and synthesis of new drugs for AIDS, breast cancer, and inflammation, and synthesis of new catalysts and materials. His group collaborates with the pharmaceutical industry for the synthesis and testing of candidate molecules.

SELECTED 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.