Karl M. Smith, Ph.D.

Senior Scientific Developer

Dr. Smith worked with Dr. Robert Pearlman and Optive Research, Inc. from 1989 until 2005. He joined Tripos with the acquisition of Optive Research in January, 2005. With Dr. Pearlman's guidance and insight, Dr. Smith developed DiverseSolutions, HSCF, and PipeComm. He has also rewritten and greatly improved much of EA-Inventor. Currently he is investigating aspects of molecular docking as well as examining the capabilities of a computational synthesis program. Prior to joining the Pearlman research group, Dr. Smith worked in the research group of Dr. George Kenyon at Univ. of Calif., San Francisco, investigating computational tools for de-novo design, then synthesizing and evaluating compounds resulting from this design work. This work allow Dr. Smith to transition from the synthetic chemistry background, developed under Dr. Clayton Heathcock at the Univ. of Calif., Berkeley, to that of a computation chemist, to eventually become a developer of computational chemistry programs in the Pearlman group.

Academics

PhD Chemistry (Organic Synthesis) University of California, Berkeley, California, USA
BS Chemistry (with honors) University of Texas, Austin, Texas, USA
BS Mathematics University of Texas, Austin, Texas, USA

Selected Publications

Metric Validation and the Receptor-Relevant Subspace Concept, Pearlman, R.S. and Smith, K.M., J. Chem. Inf. Comput. Sci., 1999, 39, 28.

Calculated Polarizabilities from Semi-Empirical SCF Calculations, Smith, K.M. and Pearlman, R.S., QSAR and Molecular Modelling: Concepts, Computational Tools, and Biological Applications, J.R. Prous, 1995.

The Total Synthesis of Fawcettimine, Heathcock, C.H., Blumenkopf, T.A. and Smith, K.M., J. Org. Chem., 1989, 54, 1548.