Richard Cramer, Ph.D.

Chief Scientific Officer

Richard D. Cramer has been Vice President for Science at Tripos, Inc., since 1983. From 1971 to 1983, he founded and led SmithKline's computer-aided drug design, holding a series of positions ending with Associate Director and Fellow in Chemistry. He received an AB in Chemistry & Physics from Harvard in 1963 and a PhD in Physical Organic Chemistry from MIT in 1967. The next four years were spent as a bench chemist at Polaroid and as a post-doctoral fellow on the LHASA project with Nobel laureate E.J. Corey at Harvard.

Academics

PhD, Physical Organic Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
BA, Chemistry and Physics, Harvard University, Cambridge, Massachusetts, USA

Membership and Awards

American Chemical Society, AAAS.
Chairman and Vice-chairman, Gordon Conference on Quantitative Structure-Activity Relationships in Biology, 1983 and 1985.

Selected Publications

Lead-Hopping. Validation of Topomer Similarity as a Superior Predictor of Similar Biological Activities, R.D. Cramer, R.J. Jilek, S. Guessregen S.J. Clark, B. Wendt, R.D. Clark, Journal of Medicinal Chemistry, 47, 6777-6791 (2004)

Topomers: A Validated Protocol for their Self-Consistent Generation, Jilek, R.J., Cramer, R.D. J. Chem. Inf. Comp. Sci. 44, 1221-1227 (2004)

Topomer CoMFA: A Design Methodology for Rapid Lead Optimization, Cramer, R.D., J. Med. Chem. 46, 374-389 (2003)

dbtop: Topomer Similarity Searching of Conventional Databases, Cramer, R.D.; Jilek, R. J.; Andrews, K.M., J. Mol. Graphics and Modeling, 20, 447-462 (2002)

Toward General Methods of Targeted Library Design: Topomer Shape Similarity Searching with Diverse Structures as Queries, Andrews, K.M., Cramer, R.D., J. Med. Chem. 43, 1723-1740 (2000)

Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching, Cramer, R.D., Poss, M.A., Hermsmeier, M.A., Caulfield, T.J., Kowala, M.C., Valentine, M.T., J. Med. Chem. 42, 3919-3933 (1999)

Virtual libraries: a new approach to decision making in molecular discovery research, Cramer, R.D., Patterson, D.E., Clark, R.D., Soltanshahi, F., Lawless, M.S., J. Chem. Inf. Comp. Sci. 6, 1010-1023 (1998)

Bioisosterism and Molecular Diversity, R.D. Clark, A.M. Ferguson, R.D. Cramer; in 3D QSAR in Drug Design, Volume 2,H. Kubinyi, G. Folkers, Y.C. Martin, eds.; Kluwer/ESCOM, Dordrecht, 1998; pp. 213-224 (also: Perspectives in Drug Discovery Design, 1998, 9/10/11, 213-224).

Neighborhood Behavior: A Useful Concept for Validation of "Molecular Diversity" Descriptors, D.E. Patterson, R.D. Cramer, A.M. Ferguson, R.D. Clark, L. E. Weinberger, J. Med. Chem., 39 (16), 3049 -3059 (1996).

The Probability of Chance Correlation Using Partial Least Squares (PLS), Clark, M., Cramer, R.D. Quant. Struct.-Act. Relat.  12, 137-145 (1993)

Partial Least Squares (PLS): Its strengths and limitations, Cramer, R.D.,  Persp. Drug Discovery & Design, 1, 269-278 (1993) 

The Developing Practice of Comparative Molecular Field Analysis, Cramer, R.D., DePriest, S.A., Patterson, D.E., Hecht, P.; in 3D-QSAR, ed. H. Kubinyi, 1993, ESCOM 

Validation of the General Purpose Tripos 5.2 Force Field, Clark, M., Cramer, R.D., Van Opdenbosch, N., J. Comp.Chem. 10, 982-1012 (1989)

Comparative Molecular Field Analysis (CoMFA). 1. Effect of Shape on Binding of Steroids to Carrier Proteins, Cramer, R.D., Patterson, D.E., and Bunce, J.D., J.Am.Chem.Soc. 110, 5939-5967 (1998)

Three-dimensional structure-activity relationships, Marshall, G.R., and Cramer, R.D., Trends Pharm. Sci. 9, 285-289 (1989)

Crossvalidation, Bootstrapping, and Partial Least Squares Compared with Multiple Regression in Conventional QSAR Studies, Cramer, R.D., Bunce, J.D., and Patterson, D.E., Quant. Struct.-Act. Relat. 7, 18-25 (1988) 

SYBYL, the integrated molecular modelling system, Van Opdenbosch, Cramer, R.D., and Giarrusso, F.F., Molecular Graphics  3, 110-111(1985) 

Progress in Three-Dimensional Drug Design: the use of Real Time Colour Graphics and Computer Postulation of Bioactive Molecules in DYLOMMS, Wise, M., Cramer, R.D., Smith, D., and Exman, I., in Quantitative Approaches to Drug Design, J.Dearden, ed., Elsevier, 145-146 (1983)

BC(DEF) Correlation as a Mechanistic Probe in Biological Systems, Cramer, R.D. in Quantitative Approaches to Drug Design, J.Dearden, ed., Elsevier, 3-14 (1983)

BC(DEF) Coordinates. 3. Their Acquisition from Physical Property Data, Cramer, R.D., Quant. Struct.-Act. Relat. 2, 7-12 (1983)

BC(DEF) Coordinates. 4. Correlations with General Anesthesia, Nerve Blockade, and Erythrocyte Stabilization, Cramer, R.D., Quant. Struct.-Act. Relat. 2, 13-19 (1983)

Antiallergic and Antiulcer Agents, Cramer, R.D.; in Quantitative Structure-Activity Relationships of Drugs, J.Topliss, ed., Academic Press, 253-284 (1983) 

Computer Graphics in Drug Design, Cramer, R.D., Pharmacy International, 106-107 (1983) 

Development and Use of Nucleon: The Key Components of SK&F's Molecular Modeling System, Cramer, R.D.; Fisher, R.; Dammkoehler, R.A.; Zyda, M.; Smith, G.; Simeroth, P., ACS Abstracts, spring 1983

Measurement and Correlation of Partition Coefficients of Polar Amino Acids, Yunger, L.M., Cramer, R. D., Molecular Pharmacology  20, 602-608 (1981)

BC(DEF) Parameters. 2. An Empirical Structure-Based Scheme for the Prediction of Some Physical Properties, Cramer, R.D., J. Am. Chem. Soc. 102, 1849-1859 (1980)

BC(DEF) Parameters. 1. The Intrinsic Dimensionality of Intramolecular Interactions in the Liquid State, Cramer, R.D. J. Am. Chem. Soc. 102, 1837-1849(1980)

A QSAR Success Story, Cramer, R.D., Chem Tech 744-747 (1980)

The Lattice Model: A General Paradigm for Shape-Related Structure/Activity Correlation, Cramer, R.D., and Milne, M., Abstracts ACS Meeting, Honolulu, 1979, COMP 44.

Pyranenamines: A New Series of Antiallergic Compounds, Snader, K.M., Chakrin, L.W., Cramer, R.D., Gelernt, Y.M., Miao, C.K., Shah, D.H., Venslavsky, J.W., Willis, C.R., and Sutton, B.M., J. Med. Chem. 22, 706-714 (1979)

Application of Quantitative Structure-Activity Relationships in the Development of the Antiallergic Pyranenamines, Cramer, R.D., Snader, K.M., Willis, C.R., Chakrin, L.W., Thomas, J., and Sutton, B.M., J. Med. Chem. 22, 714-725 (1979)

"Hydrophobic Interactions" and Solvation Energies. Discrepancies Between Theory and Experimental Data, Cramer, R.D., J.Am.Chem.Soc. 99, 5408-5412 (1977)

Quantitative Drug Design , Cramer, R.D., Annual Reports in Med. Chem. (1976)

Controlled Release Pesticides - Making the Most of the Benefits, Cramer, R.D., Intl. Pest Control, Mar-Apr (1976)

Quantitative Drug Design, Redl, G., Cramer, R.D., and Berkoff, C.E., Chem. Soc. Rev., 273-292 (1974)

Substructural Analysis. A Novel Approach to the Problem of Drug Design, Cramer, R.D., Redl, G., and Berkoff, C.E., J. Med. Chem. 17, 533-535 (1974)

Techniques for Perception by a Computer of Synthetically Significant Structural Features in Complex Molecules, Corey, E.J., Wipke, W.T., Cramer, R.D., and Howe, W.J., J.Am.Chem.Soc. 94, 432-439 (1972)

Computer-Assisted Synthetic Analysis. Facile Man-Machine Communication of Structure by Interactive Computer Graphics, Corey, E.J., Wipke, W.T., Cramer, R.D., and Howe, W.J., J.Am.Chem.Soc. 94, 421-430 (1972) 

Computer-Assisted Synthetic Analysis for Complex Molecules. Methods and Procedures for Machine Generation of Synthetic Intermediates, Corey, E.J., Cramer, R.D., and Howe, W.J., J.Am.Chem.Soc. 94, 440-459 (1972)