{"id":"doi:10.1038/s41467-022-31748-9","kind":"article","title":"Model building of protein complexes from intermediate-resolution cryo-EM maps with deep learning-guided automatic assembly","authors":["Jiahua He","Peicong Lin","Ji Chen","Hong Cao","Sheng‐You Huang"],"author_count":5,"year":2022,"published":"2022-07-13","venue":"Nature Communications","cited_by":96,"doi":"10.1038/s41467-022-31748-9","arxiv_id":null,"nct_id":null,"source_url":"https://doi.org/10.1038/s41467-022-31748-9","archive_url":"https://space-kitty.com/papers/doi:10.1038/s41467-022-31748-9","updated":null,"pmid":"35831370","pmcid":null,"openalex_id":"W4285393885","pdf_url":"https://www.nature.com/articles/s41467-022-31748-9.pdf","abstract":"Advances in microscopy instruments and image processing algorithms have led to an increasing number of cryo-electron microscopy (cryo-EM) maps. However, building accurate models into intermediate-resolution EM maps remains challenging and labor-intensive. Here, we propose an automatic model building method of multi-chain protein complexes from intermediate-resolution cryo-EM maps, named EMBuild, by integrating AlphaFold structure prediction, FFT-based global fitting, domain-based semi-flexible refinement, and graph-based iterative assembling on the main-chain probability map predicted by a deep convolutional network. EMBuild is extensively evaluated on diverse test sets of 47 single-particle EM maps at 4.0-8.0 Å resolution and 16 subtomogram averaging maps of cryo-ET data at 3.7-9.3 Å resolution, and compared with state-of-the-art approaches. We demonstrate that EMBuild is able to build high-quality complex structures that are comparably accurate to the manually built PDB structures from the cryo-EM maps. These results demonstrate the accuracy and reliability of EMBuild in automatic model building.","abstract_license":"CC-BY (publisher license, via OpenAlex)","license":"cc-by","is_open_access":true,"retracted":false,"peer_reviewed":null,"categories":["Advanced Electron Microscopy Techniques and Applications"],"details":null,"provenance":"openalex","attribution":"Abstract of \"Model building of protein complexes from intermediate-resolution cryo-EM maps with deep learning-guided automatic assembly\" by Jiahua He, Peicong Lin, Ji Chen et al., https://doi.org/10.1038/s41467-022-31748-9, used under its Creative Commons Attribution license (CC-BY); markup removed, otherwise unmodified.","topics":[{"slug":"protein-design","name":"AI Protein Design & Structure Prediction","domain_slug":"biotech"}],"cited_in_dossiers":[]}