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Biomedical subjects

D A Cosgrove

Publications and source records attributed to D A Cosgrove.

2 recordsLinked to original sources

SLASH: a program for analysing the functional groups in molecules.

The program SLASH, which is designed to enable large numbers of compounds to be analysed in terms of the functional groups they contain, is described. The usefulness of the groups for analysing the activities of compounds tested in high-throughput biological screens is investigated. The functional group fragments are also studied as a means of determining similarity within groups of compounds.

Drug Design

BOOMSLANG: a program for combinatorial structure generation.

An approach to exploiting pharmacophore models is described. Structures are assembled combinatorially from user-defined fragments and flexibly overlaid into the reference frame of the pharmacophore using distance geometry and molecular mechanics. The match with the pharmacophore is quantified by conformational energy and volume of overlap.

Computer Graphics