Chapter title |
Modeling the Structure of Helical Assemblies with Experimental Constraints in Rosetta
|
---|---|
Chapter number | 30 |
Book title |
Protein Complex Assembly
|
Published in |
Methods in molecular biology, January 2018
|
DOI | 10.1007/978-1-4939-7759-8_30 |
Pubmed ID | |
Book ISBNs |
978-1-4939-7758-1, 978-1-4939-7759-8
|
Authors |
Ingemar André |
Abstract |
Determining high-resolution structures of proteins with helical symmetry can be challenging due to limitations in experimental data. In such instances, structure-based protein simulations driven by experimental data can provide a valuable approach for building models of helical assemblies. This chapter describes how the Rosetta macromolecular package can be used to model homomeric protein assemblies with helical symmetry in a range of modeling scenarios including energy refinement, symmetrical docking, comparative modeling, and de novo structure prediction. Data-guided structure modeling of helical assemblies with experimental information from electron density, X-ray fiber diffraction, solid-state NMR, and chemical cross-linking mass spectrometry is also described. |
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