Ontology highlight
ABSTRACT:
SUBMITTER: Mishra N
PROVIDER: S-EPMC3835907 | biostudies-literature | 2013
REPOSITORIES: biostudies-literature
BioMed research international 20131104
The virtual screening problems associated with acetylcholinesterase (AChE) inhibitors were explored using multiple shape, and structure-based modeling strategies. The employed strategies include molecular docking, similarity search, and pharmacophore modeling. A subset from directory of useful decoys (DUD) related to AChE inhibitors was considered, which consists of 105 known inhibitors and 3732 decoys. Statistical quality of the models was evaluated by enrichment factor (EF) metrics and receive ...[more]