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  W Todd Wipke

W Todd Wipke

Professor Emeritus

831-459-2397 (office)

831-459-4002 (dept office)

831-459-2935 (Fax)


Physical & Biological Sciences Division

Chemistry & Biochemistry Department

Professor Emeritus


Biomolecular Science & Engineering



Wipke Lab

Physical Sciences Building

Physical Sciences Building 340

by appointment


Post Doc, Harvard, E.J. Corey

Ph.D., UC Berkeley, Bill Dauben

B.S., University of Missouri, Columbia

Molecular engineering for drug discovery, computational high-throughput screen QSAR; virtual library design; improving cancer chemotherapy

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.

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

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