David E. Clark - researchr alias

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Viewing Publication 1 - 15 from 15

2020

Virtual Screening: Is Bigger Always Better? Or Can Small Be Beautiful?David E. Clark. jcisd, 60(9):4120-4123, 2020. [doi]

2006

Similarity Searching in Databases of Flexible 3D Structures Using Autocorrelation Vectors Derived from Smoothed Bounded Distance MatricesNicholas Rhodes, David E. Clark, Peter Willett 0002. jcisd, 46(2):615-619, 2006. [doi]

2000

Enhancing the Hit-to-Lead Properties of Lead Optimization LibrariesStephen D. Pickett, Iain M. McLay, David E. Clark. jcisd, 40(2):263-272, 2000. [doi]

1997

PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. TechnologyChristopher W. Murray, David E. Clark, Timothy R. Auton, Michael A. Firth, Jin Li, Richard A. Sykes, Bohdan Waszkowycz, David R. Westhead, Stephen C. Young. jcamd, 11(2):193-207, 1997. [doi]

A comparison of heuristic search algorithms for molecular dockingDavid R. Westhead, David E. Clark, Christopher W. Murray. jcamd, 11(3):209-228, 1997. [doi]

1996

MOLMAKER: De Novo Generation of 3D Databases for Use in Drug DesignDavid E. Clark, Michael A. Firth, Christopher W. Murray. jcisd, 36(1):137-145, 1996. [doi]

Active-site-directed 3D database searching: Pharmacophore extraction and validation of hitsDavid E. Clark, David R. Westhead, Richard A. Sykes, Christopher W. Murray. jcamd, 10(5):397-416, 1996.

Evolutionary algorithms in computer-aided molecular designDavid E. Clark, David R. Westhead. jcamd, 10(4):337-358, 1996.

1995

PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated StructuresDavid E. Clark, Christopher W. Murray. jcisd, 35(5):914-923, 1995.

PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic moleculesDavid E. Clark, David Frenkel, Stephen A. Levy, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead. jcamd, 9(1):13-32, 1995.

PRO_LIGAND: An approach to de novo molecular design. 4. Application to the design of peptidesDavid Frenkel, David E. Clark, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz, David R. Westhead. jcamd, 9(3):213-225, 1995.

PRO_LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptidesChristopher W. Murray, David E. Clark, Deirdre G. Byrne. jcamd, 9(5):381-395, 1995.

PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinementDavid R. Westhead, David E. Clark, David Frenkel, Jin Li, Christopher W. Murray, Barry Robson, Bohdan Waszkowycz. jcamd, 9(2):139-148, 1995.

1994

Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searchingDavid E. Clark, Gareth Jones, Peter Willett 0002, Peter W. Kenny, Robert C. Glen. jcisd, 34(1):197-206, 1994. [doi]

1993

Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic AlgorithmsGareth Jones, Robert D. Brown, David E. Clark, Peter Willett 0002, Robert C. Glen. icga 1993: 597-602

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