Virtual screening
http://edamontology.org/operation_3938
Virtual screening is used in drug discovery to identify potential drug compounds. It involves searching libraries of small molecules in order to identify those molecules which are most likely to bind to a drug target (typically a protein receptor or enzyme).
Synonyms: Structure-based screening, Ligand-based virtual screening, Ligand-based screening, Virtual ligand screening, Structured-based virtual screening
Term info
Subsets
operations, edam
Created in
1.24
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Virtual screening is widely used for lead identification, lead optimization, and scaffold hopping during drug design and discovery.
Term relations
Subclass of:
- Protein-ligand docking
- Small molecule design
- has output some Protein-ligand complex
- has topic some Protein interactions