期刊
ANNUAL REVIEW OF BIOPHYSICS, VOL 45
卷 45, 期 -, 页码 253-278出版社
ANNUAL REVIEWS
DOI: 10.1146/annurev-biophys-062215-011113
关键词
integrative modeling; hybrid methods; molecular dynamics; flexible fitting; simulation; cryo-EM
类别
资金
- Division Of Physics
- Direct For Mathematical & Physical Scien [1430124] Funding Source: National Science Foundation
The rise of the computer as a powerful tool for model building and refinement has revolutionized the field of structure determination for large biomolecular systems. Despite the wide availability of robust experimental methods capable of resolving structural details across a range of spatiotemporal resolutions, computational hybrid methods have the unique ability to integrate the diverse data from multimodal techniques such as X-ray crystallography and electron microscopy into consistent, fully atomistic structures. Here, commonly employed strategies for computational real-space structural refinement are reviewed, and their specific applications are illustrated for several large macromolecular complexes: ribosome, virus capsids, chemosensory array, and photosynthetic chromatophore. The increasingly important role of computational methods in large-scale structural refinement, along with current and future challenges, is discussed.
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