Molecular docking

Docking simulation

Macromolecular docking

Model the structure of a protein in complex with a small molecule or another macromolecule. This includes protein-protein interactions, protein-nucleic acid, protein-ligand binding etc. Methods might predict whether the molecules are likely to bind in vivo, their conformation when bound, the strength of the interaction, possible mutations to achieve bonding and so on.

http://edamontology.org/operation_0478

This includes protein-protein interactions, protein-nucleic acid, protein-ligand binding etc. Methods might predict whether the molecules are likely to bind in vivo, their conformation when bound, the strength of the interaction, possible mutations to achieve bonding and so on.

beta12orEarlier

Model the structure of a protein in complex with a small molecule or another macromolecule.

Docking simulation

Macromolecular docking

http://edamontology.org/bio

http://edamontology.org/operations

Molecular docking

operation_0478

Molecular docking

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

https://en.wikipedia.org/wiki/Docking_(molecular)

http://edamontology.org/operation_2480

http://edamontology.org/operation_1777