Preferred Name |
Protein-ligand docking |
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Synonyms |
Ligand-binding simulation Protein-peptide docking |
|
Definitions |
Model protein-ligand (for example protein-peptide) binding using comparative modelling or other techniques. Methods aim to predict the position and orientation of a ligand bound to a protein receptor or enzyme. Virtual screening is used in drug discovery to search 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). |
|
ID |
http://edamontology.org/operation_0482 |
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comment |
Methods aim to predict the position and orientation of a ligand bound to a protein receptor or enzyme. Virtual screening is used in drug discovery to search 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). |
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Created in |
beta12orEarlier |
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hasDefinition |
Model protein-ligand (for example protein-peptide) binding using comparative modelling or other techniques. |
|
hasExactSynonym |
Ligand-binding simulation |
|
hasNarrowSynonym |
Protein-peptide docking |
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inSubset | ||
label |
Protein-ligand docking |
|
prefixIRI |
operation_0482 |
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prefLabel |
Protein-ligand docking |
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seeAlso | ||
subClassOf |
Delete | Mapping To | Ontology | Source |
---|---|---|---|
http://edamontology.org/operation_0482 | ITO | SAME_URI | |
http://edamontology.org/operation_0482 | ITO | LOOM |