Macromolecular docking
'Protein-protein docking is a field of theoretical biochemistry aimed at predicting properties of the associations between two or more proteins. Specifically, for any given set of proteins, it aims to answer the following questions:
- Do the proteins bind in vivo?
- If they bind,
- What is the spatial configuration which they adopt in their bound state?
- How strong or weak is their interaction?
The field of protein-protein docking is highly computationally oriented, and it shares approaches with molecular docking. Molecular docking is sometimes referred to as small-molecule docking, to draw a distinction from protein-protein docking.
Associations between protein and polynucleotide molecular structures are widely studied within the same framework.