David E. Clark

Publication Activity (10 Years)

Years Active: 1993-2020
Publications (10 Years): 1

Top Topics

Chemical Structures

Biologically Inspired

Discovery Process

Virtual Screening

Top Venues

J. Chem. Inf. Model.

Publications

David E. Clark
Virtual Screening: Is Bigger Always Better? Or Can Small Be Beautiful? J. Chem. Inf. Model. 60 (9) (2020)
Nicholas Rhodes, David E. Clark, Peter Willett
Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance Matrices. J. Chem. Inf. Model. 46 (2) (2006)
Stephen D. Pickett, Iain M. McLay, David E. Clark
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries. J. Chem. Inf. Comput. Sci. 40 (2) (2000)
David R. Westhead, David E. Clark, Christopher W. Murray
A comparison of heuristic search algorithms for molecular docking. J. Comput. Aided Mol. Des. 11 (3) (1997)
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. J. Comput. Aided Mol. Des. 11 (2) (1997)
David E. Clark, Michael A. Firth, Christopher W. Murray
MOLMAKER: De Novo Generation of 3D Databases for Use in Drug Design. J. Chem. Inf. Comput. Sci. 36 (1) (1996)
David E. Clark, David R. Westhead
Evolutionary algorithms in computer-aided molecular design. J. Comput. Aided Mol. Des. 10 (4) (1996)
David E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray
Active-site-directed 3D database searching: Pharmacophore extraction and validation of hits. J. Comput. Aided Mol. Des. 10 (5) (1996)
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. J. Comput. Aided Mol. Des. 9 (1) (1995)
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. J. Comput. Aided Mol. Des. 9 (3) (1995)
David E. Clark, Christopher W. Murray
PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures. J. Chem. Inf. Comput. Sci. 35 (5) (1995)
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. J. Comput. Aided Mol. Des. 9 (5) (1995)
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. J. Comput. Aided Mol. Des. 9 (2) (1995)
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. J. Chem. Inf. Comput. Sci. 34 (1) (1994)
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)