Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms. - Gareth Jones 001; Robert D. Brown; David E. Clark; Peter Willett 002; Robert C. Glen (ICGA, 1993)

Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching. - David E. Clark; Gareth Jones 001; Peter Willett 002; Peter W. Kenny; Robert C. Glen (J. Chem. Inf. Comput. Sci., 1994)

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules. - David E. Clark; David Frenkel; Stephen A. Levy; Jin Li 004; Christopher W. Murray; Barry Robson; Bohdan Waszkowycz; David R. Westhead (J. Comput. Aided Mol. Des., 1995)

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides. - David Frenkel; David E. Clark; Jin Li 004; Christopher W. Murray; Barry Robson; Bohdan Waszkowycz; David R. Westhead (J. Comput. Aided Mol. Des., 1995)

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides. - Christopher W. Murray; David E. Clark; Deirdre G. Byrne (J. Comput. Aided Mol. Des., 1995)

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement. - David R. Westhead; David E. Clark; David Frenkel; Jin Li 004; Christopher W. Murray; Barry Robson; Bohdan Waszkowycz (J. Comput. Aided Mol. Des., 1995)

PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures. - David E. Clark; Christopher W. Murray (J. Chem. Inf. Comput. Sci., 1995)

Evolutionary algorithms in computer-aided molecular design. - David E. Clark; David R. Westhead (J. Comput. Aided Mol. Des., 1996)

Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits. - David E. Clark; David R. Westhead; Richard A. Sykes; Christopher W. Murray (J. Comput. Aided Mol. Des., 1996)

MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design. - David E. Clark; Michael A. Firth; Christopher W. Murray (J. Chem. Inf. Comput. Sci., 1996)

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology. - Christopher W. Murray; David E. Clark; Timothy R. Auton; Michael A. Firth; Jin Li 004; Richard A. Sykes; Bohdan Waszkowycz; David R. Westhead; Stephen C. Young (J. Comput. Aided Mol. Des., 1997)

A comparison of heuristic search algorithms for molecular docking. - David R. Westhead; David E. Clark; Christopher W. Murray (J. Comput. Aided Mol. Des., 1997)

Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. - Stephen D. Pickett; Iain M. McLay; David E. Clark (J. Chem. Inf. Comput. Sci., 2000)

Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance Matrices. - Nicholas Rhodes; David E. Clark; Peter Willett 002 (J. Chem. Inf. Model., 2006)

Virtual Screening: Is Bigger Always Better? Or Can Small Be Beautiful? - David E. Clark (J. Chem. Inf. Model., 2020)