M3: an integrative framework for structure determination of molecular machines.
basic_science · Level V
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- Record sourced from PubMed, PMID 28805795.
- Also identified by DOI 10.1038/nmeth.4392.
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Abstract
We present a broadly applicable, user-friendly protocol that incorporates sparse and hybrid experimental data to calculate quasi-atomic-resolution structures of molecular machines. The protocol uses the HADDOCK framework, accounts for extensive structural rearrangements both at the domain and atomic levels and accepts input from all structural and biochemical experiments whose data can be translated into interatomic distances and/or molecular shapes.
Medical subject headings
- Algorithms
- Models, Chemical
- Molecular Docking Simulation
- Protein Interaction Mapping
- Proteins