2006 |
14 | EE | Nicholas Rhodes,
David E. Clark,
Peter Willett:
Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance Matrices.
Journal of Chemical Information and Modeling 46(2): 615-619 (2006) |
2000 |
13 | EE | Stephen D. Pickett,
Iain M. McLay,
David E. Clark:
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries.
Journal of Chemical Information and Computer Sciences 40(2): 263-272 (2000) |
1997 |
12 | EE | Christopher W. Murray,
David E. Clark,
Timothy R. Auton,
Michael A. Firth,
Jin Li,
Richard A. Sykes,
Bohdan Waszkowycz,
David R. Westhead,
Stephen C. Young:
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 (1997) |
11 | EE | David R. Westhead,
David E. Clark,
Christopher W. Murray:
A comparison of heuristic search algorithms for molecular docking.
Journal of Computer-Aided Molecular Design 11(3): 209-228 (1997) |
1996 |
10 | EE | David E. Clark,
Michael A. Firth,
Christopher W. Murray:
MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design.
Journal of Chemical Information and Computer Sciences 36(1): 137-145 (1996) |
9 | | David E. Clark,
David R. Westhead:
Evolutionary algorithms in computer-aided molecular design.
Journal of Computer-Aided Molecular Design 10(4): 337-358 (1996) |
8 | | David E. Clark,
David R. Westhead,
Richard A. Sykes,
Christopher W. Murray:
Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits.
Journal of Computer-Aided Molecular Design 10(5): 397-416 (1996) |
1995 |
7 | | David E. Clark,
Christopher W. Murray:
PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures.
Journal of Chemical Information and Computer Sciences 35(5): 914-923 (1995) |
6 | | David E. Clark,
David Frenkel,
Stephen A. Levy,
Jin Li,
Christopher W. Murray,
Barry Robson,
Bohdan Waszkowycz,
David R. Westhead:
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules.
Journal of Computer-Aided Molecular Design 9(1): 13-32 (1995) |
5 | | David R. Westhead,
David E. Clark,
David Frenkel,
Jin Li,
Christopher W. Murray,
Barry Robson,
Bohdan Waszkowycz:
PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement.
Journal of Computer-Aided Molecular Design 9(2): 139-148 (1995) |
4 | | David Frenkel,
David E. Clark,
Jin Li,
Christopher W. Murray,
Barry Robson,
Bohdan Waszkowycz,
David R. Westhead:
PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides.
Journal of Computer-Aided Molecular Design 9(3): 213-225 (1995) |
3 | | Christopher W. Murray,
David E. Clark,
Deirdre G. Byrne:
PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides.
Journal of Computer-Aided Molecular Design 9(5): 381-395 (1995) |
1994 |
2 | EE | David E. Clark,
Gareth Jones,
Peter Willett,
Peter W. Kenny,
Robert C. Glen:
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(1): 197-206 (1994) |
1993 |
1 | | Gareth Jones,
Robert D. Brown,
David E. Clark,
Peter Willett,
Robert C. Glen:
Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms.
ICGA 1993: 597-602 |