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DeepEMhancer: a deep learning solution for cryo-EM volume post-processing

Cryo-EM maps are valuable sources of information for protein structure modeling. However, due to the loss of contrast at high frequencies, they generally need to be post-processed to improve their interpretability. Most popular approaches, based on global B-factor correction, suffer from limitations...

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Detalles Bibliográficos
Autores principales: Sanchez-Garcia, Ruben, Gomez-Blanco, Josue, Cuervo, Ana, Carazo, Jose Maria, Sorzano, Carlos Oscar S., Vargas, Javier
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8282847/
https://www.ncbi.nlm.nih.gov/pubmed/34267316
http://dx.doi.org/10.1038/s42003-021-02399-1
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author Sanchez-Garcia, Ruben
Gomez-Blanco, Josue
Cuervo, Ana
Carazo, Jose Maria
Sorzano, Carlos Oscar S.
Vargas, Javier
author_facet Sanchez-Garcia, Ruben
Gomez-Blanco, Josue
Cuervo, Ana
Carazo, Jose Maria
Sorzano, Carlos Oscar S.
Vargas, Javier
author_sort Sanchez-Garcia, Ruben
collection PubMed
description Cryo-EM maps are valuable sources of information for protein structure modeling. However, due to the loss of contrast at high frequencies, they generally need to be post-processed to improve their interpretability. Most popular approaches, based on global B-factor correction, suffer from limitations. For instance, they ignore the heterogeneity in the map local quality that reconstructions tend to exhibit. Aiming to overcome these problems, we present DeepEMhancer, a deep learning approach designed to perform automatic post-processing of cryo-EM maps. Trained on a dataset of pairs of experimental maps and maps sharpened using their respective atomic models, DeepEMhancer has learned how to post-process experimental maps performing masking-like and sharpening-like operations in a single step. DeepEMhancer was evaluated on a testing set of 20 different experimental maps, showing its ability to reduce noise levels and obtain more detailed versions of the experimental maps. Additionally, we illustrated the benefits of DeepEMhancer on the structure of the SARS-CoV-2 RNA polymerase.
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spelling pubmed-82828472021-07-23 DeepEMhancer: a deep learning solution for cryo-EM volume post-processing Sanchez-Garcia, Ruben Gomez-Blanco, Josue Cuervo, Ana Carazo, Jose Maria Sorzano, Carlos Oscar S. Vargas, Javier Commun Biol Article Cryo-EM maps are valuable sources of information for protein structure modeling. However, due to the loss of contrast at high frequencies, they generally need to be post-processed to improve their interpretability. Most popular approaches, based on global B-factor correction, suffer from limitations. For instance, they ignore the heterogeneity in the map local quality that reconstructions tend to exhibit. Aiming to overcome these problems, we present DeepEMhancer, a deep learning approach designed to perform automatic post-processing of cryo-EM maps. Trained on a dataset of pairs of experimental maps and maps sharpened using their respective atomic models, DeepEMhancer has learned how to post-process experimental maps performing masking-like and sharpening-like operations in a single step. DeepEMhancer was evaluated on a testing set of 20 different experimental maps, showing its ability to reduce noise levels and obtain more detailed versions of the experimental maps. Additionally, we illustrated the benefits of DeepEMhancer on the structure of the SARS-CoV-2 RNA polymerase. Nature Publishing Group UK 2021-07-15 /pmc/articles/PMC8282847/ /pubmed/34267316 http://dx.doi.org/10.1038/s42003-021-02399-1 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Sanchez-Garcia, Ruben
Gomez-Blanco, Josue
Cuervo, Ana
Carazo, Jose Maria
Sorzano, Carlos Oscar S.
Vargas, Javier
DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title_full DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title_fullStr DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title_full_unstemmed DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title_short DeepEMhancer: a deep learning solution for cryo-EM volume post-processing
title_sort deepemhancer: a deep learning solution for cryo-em volume post-processing
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8282847/
https://www.ncbi.nlm.nih.gov/pubmed/34267316
http://dx.doi.org/10.1038/s42003-021-02399-1
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