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EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps

Cryo-electron microscopy (cryo-EM) has become one of important experimental methods in structure determination. However, despite the rapid growth in the number of deposited cryo-EM maps motivated by advances in microscopy instruments and image processing algorithms, building accurate structure model...

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Detalles Bibliográficos
Autores principales: He, Jiahua, Huang, Sheng-You
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8574626/
https://www.ncbi.nlm.nih.gov/pubmed/33954706
http://dx.doi.org/10.1093/bib/bbab156
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author He, Jiahua
Huang, Sheng-You
author_facet He, Jiahua
Huang, Sheng-You
author_sort He, Jiahua
collection PubMed
description Cryo-electron microscopy (cryo-EM) has become one of important experimental methods in structure determination. However, despite the rapid growth in the number of deposited cryo-EM maps motivated by advances in microscopy instruments and image processing algorithms, building accurate structure models for cryo-EM maps remains a challenge. Protein secondary structure information, which can be extracted from EM maps, is beneficial for cryo-EM structure modeling. Here, we present a novel secondary structure annotation framework for cryo-EM maps at both intermediate and high resolutions, named EMNUSS. EMNUSS adopts a three-dimensional (3D) nested U-net architecture to assign secondary structures for EM maps. Tested on three diverse datasets including simulated maps, middle resolution experimental maps, and high-resolution experimental maps, EMNUSS demonstrated its accuracy and robustness in identifying the secondary structures for cyro-EM maps of various resolutions. The EMNUSS program is freely available at http://huanglab.phys.hust.edu.cn/EMNUSS.
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spelling pubmed-85746262021-11-09 EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps He, Jiahua Huang, Sheng-You Brief Bioinform Problem Solving Protocol Cryo-electron microscopy (cryo-EM) has become one of important experimental methods in structure determination. However, despite the rapid growth in the number of deposited cryo-EM maps motivated by advances in microscopy instruments and image processing algorithms, building accurate structure models for cryo-EM maps remains a challenge. Protein secondary structure information, which can be extracted from EM maps, is beneficial for cryo-EM structure modeling. Here, we present a novel secondary structure annotation framework for cryo-EM maps at both intermediate and high resolutions, named EMNUSS. EMNUSS adopts a three-dimensional (3D) nested U-net architecture to assign secondary structures for EM maps. Tested on three diverse datasets including simulated maps, middle resolution experimental maps, and high-resolution experimental maps, EMNUSS demonstrated its accuracy and robustness in identifying the secondary structures for cyro-EM maps of various resolutions. The EMNUSS program is freely available at http://huanglab.phys.hust.edu.cn/EMNUSS. Oxford University Press 2021-05-05 /pmc/articles/PMC8574626/ /pubmed/33954706 http://dx.doi.org/10.1093/bib/bbab156 Text en © The Author(s) 2021. Published by Oxford University Press. https://creativecommons.org/licenses/by/4.0/This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Problem Solving Protocol
He, Jiahua
Huang, Sheng-You
EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title_full EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title_fullStr EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title_full_unstemmed EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title_short EMNUSS: a deep learning framework for secondary structure annotation in cryo-EM maps
title_sort emnuss: a deep learning framework for secondary structure annotation in cryo-em maps
topic Problem Solving Protocol
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8574626/
https://www.ncbi.nlm.nih.gov/pubmed/33954706
http://dx.doi.org/10.1093/bib/bbab156
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