Preferred Name

Protein-ligand docking

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

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).

Created in

beta12orEarlier

hasDefinition

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

hasExactSynonym

Ligand-binding simulation

hasNarrowSynonym

Protein-peptide docking

inSubset

http://edamontology.org/bio

http://edamontology.org/operations

label

Protein-ligand docking

prefixIRI

operation_0482

prefLabel

Protein-ligand docking

seeAlso

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

subClassOf

http://edamontology.org/operation_0478

Delete Subject Author Type Created
No notes to display