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.
Cosgrove
D A
DA
Zeneca Pharmaceuticals, Macclesfield, Cheshire, England.
Kenny
P W
PW
D003196:Computer Graphics; D017076:Computer-Aided Design; D015195:Drug Design; D008024:Ligands; D015394:Molecular Structure; D012984:Software
D008024:Ligands