Dr. Clark is a young investigator, just 10 years since his PhD. In this
time he has published extensively on his imaginative work on 3D database
searching, genetic algorithms in computational chemistry, de novo
structure design, and more recently using QSAR to predict ADME properties.
I have been very impressed with David's ability to move from one problem
to another and to then present innovative solutions to the issues. I
fully expect that in future years he will move the field forward in ways
that we cannot anticipate now.
Yvonne Martin
Details:
Date of birth: 1st December 1966.
Education:
Bsc: Oxford doing his first degree 1984-88
Library Trainee: Bodleian Library at Oxford, 1988-1989
MSc: Sheffield Univeristy, Information Science 1989-90
PhD: Sheffield Univeristy, Information Science 1990-93
Publications:
Clark, D. E., P. Willett and P. W. Kenny (1991). "Pharmacophoric Pattern
Matching in Files of Three-Dimensional Chemical Structures: Use of
Smoothed Bounded Distances for Incompletely Specified Query Patterns." Journal of Molecular Graphics 9: 157-163.
Clark, D. E., P. Willett and P. W. Kenny (1992). "Pharmacophoric Pattern
Searching in Files of Three-Dimensional Structures: Use of
Bounded-Distance Matrices for the Representation and Searching of
Conformationally Flexible Molecules." Journal of Molecular Graphics 10(4): 194-204.
Clark, D. E. and P. Willett (1993). "Pharmacophoric Pattern Matching in
Files of Three-Dimensional Chemical Structures: Implementation of Flexible
Searching." Journal of Molecular Graphics 11: 146-156.
Clark, D. E., G. Jones, P. Willett, K. P. W. and R. C. Glen (1994).
"Pharmacophoric Pattern Matching in Files of Three-Dimensional Chemical
Structures: Comparison of Conformational-Searching Algorithms for Flexible
Searching." Journal of Chemical Information and Computer Sciences 34: 197-206.
Waszkowycz, B., D. E. Clark, D. Frenkel, J. Li, C. W. Murray, B. Robson
and D. R. Westhead (1994). "Pro_Ligand: An Approach to De Novo Molecular
Design. 2. Design of Novel Molecules from Molecular Field Analysis (MFA)
Models and Pharmacophores." Journal of Medicinal Chemistry 37: 3994-4002.
Westhead, D. R., D. E. Clark, D. Frenkel, J. Li, C. W. Murray, B. Robson
and B. Waszkowycz (1995). "Pro_Ligand: An Approach to De Novo Molecular
Design. 3. A Genetic Algorithm for Structure Refinement." Journal of Computer-Aided Molecular Design 9(00): 139-148.
Clark, D. E., A. D. Frenkel, S. A. Levy, J. Li, C. W. Murray, B. Robson,
B. Waszkowycz and D. R. Westhead (1995). "Pro_Ligand: An Approach to De
Novo Molecular Design. 1. Application to the Design of Organic Molecules."
Journal of Computer-Aided Molecular Design 9: 13-.
Clark, D. E. and D. R. Westhead (1996). "Evolutionary Algorithms in
Computer-Aided Molecular Design." Journal Of Computer Aided Molecular Design 10(4): 337-358.
Clark, D. E., D. R. Westhead, R. A. Sykes and C. W. Murray (1996).
"Active-Site-3D Database Searching - Pharmacophore Extraction and
Validation of Hits." Journal of Computer-Aided Molecular Design 10(5): 397-416.
Clark, D. E., M. A. Firth and C. W. Murray (1996). "Molmaker - De Novo
Generation of 3D Databases for Use in Drug Design." Journal of Chemical Information & Computer Sciences 36(1): 137-145.
Westhead, D. R., D. E. Clark and C. W. Murray (1997). "A Comparison of
Heuristic-Search Algorithms for Molecular Docking." Journal Of Computer Aided Molecular Design 11(3): 209-228.
Vandewaterbeemd, H., R. E. Carter, G. Grassy, H. Kubinyi, Y. C. Martin, M.
S. Tute, P. Willett, C. Haasnoot, L. B. Kier, K. Muller, S. V. Rose, J.
Weber, K. S. Wibley, S. Wold, D. B. Boyd, D. E. Clark, C. Dehaen, N. D.
Heindel, P. Kratochvil, B. Kutscher, R. A. Lewis, M. Mabilia, W. V.
Metanomski, E. E. Polymeropoulos, J. P. Tollenaere, M. D. Turnbull, W. E.
Vanderlinden and E. J. Vanlenten (1997). "Glossary of Terms Used in
Computational Drug Design." Pure And Applied Chemistry 69(5): 1137-1152.
Murray, C. W., D. E. Clark, T. R. Auton, M. A. Firth, J. Li, R. A. Sykes,
B. Waszkowycz, D. R. Westhead and S. C. Young (1997). "Pro-Select -
Combining Structure-Based Drug Design and Combinatorial Chemistry for
Rapid Lead Discovery .1. Technology." Journal Of Computer Aided Molecular Design 11(2): 193-207.
Brown, R. D. and D. E. Clark (1998). "Genetic Diversity - Applications of
Evolutionary Algorithms to Combinatorial Library Design [Review]." Expert Opinion on Therapeutic Patents 8(11): 1447-1459.
Baxter, C. A., C. W. Murray, D. E. Clark, D. R. Westhead and M. D.
Eldridge (1998). "Flexible Docking Using Tabu Search and an Empirical
Estimate of Binding Affinity." Proteins 33(3): 367-382.
Clark, D. E. (1999). "Rapid Calculation of Polar Molecular Surface Area
and Its Application to the Prediction of Transport Phenomena. 1.
Prediction of Intestinal Absorption." Journal of Pharmaceutical Sciences 88(8): 807-814.
Clark, D. E. (1999). "Rapid Calculation of Polar Molecular Surface Area
and Its Application to the Prediction of Transport Phenomena. 2.
Prediction of Blood-Brain Barrier Penetration." Journal of Pharmaceutical Sciences 88(8): 815-821.
Clark, D. E. and S. D. Pickett (2000). "Computational Methods for the
Prediction of 'Drug-Likeness'." Drug Discovery Today 5(2): 49-58.
Lewis, R. A., S. D. Pickett and D. E. Clark (2000). "Computer-Aided
Molecular Diversity Analysis and Combinatorial Library Design." Reviews In Computational Chemistry 16(16): 1-51.
Pickett, S. D., I. M. McLay and D. E. Clark (2000). "Enhancing the
Hit-to-Lead Properties of Lead Optimization Libraries." Journal of Chemical Information & Computer Sciences 40(2): 263-272.
Clark, D. E. (2001). "Prediction of Intestinal Absorption and Blood-Brain
Barrier Penetration by Computational Methods." Combinatorial Chemistry & High Throughput Screening 4(6): 477-96.
Clark, D. E. (2002). "Computational Methods for the Prediction of ADME and
Toxicity - Preface." Advanced Drug Delivery Reviews 54(3): 253-254. Editor of this volume.
Clark, D. E. and P. D. J. Grootenhuis (2002). "Progress in Computational
Methods for the Prediction of ADMET Properties." Current Opinion in Drug Discovery & Development 5(3): 382-390.
Received on 2003-07-31 - 16:10 GMT
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