Protein-ligand docking

http://edamontology.org/operation_0482

Model protein-ligand (for example protein-peptide) binding using comparative modelling or other techniques.

Synonyms: Protein-peptide docking, Ligand-binding simulation

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operations, edam

Created in

beta12orEarlier

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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).

seeAlso

https://en.wikipedia.org/wiki/Virtual_screening

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Subclass of:

Molecular docking
has output some Protein-ligand complex
has topic some Protein interactions