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

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          Abstract

          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.

          Abstract

          Sanchez-Garcia et al. present DeepEMhancer, a deep learning-based method that can automatically perform post-processing of raw cryo-electron microscopy density maps. The authors report that DeepEMhancer globally improves local quality of density maps, and may represent a useful tool for novel structures where PDB models are not readily available.

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          Most cited references27

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          UCSF Chimera--a visualization system for exploratory research and analysis.

          The design, implementation, and capabilities of an extensible visualization system, UCSF Chimera, are discussed. Chimera is segmented into a core that provides basic services and visualization, and extensions that provide most higher level functionality. This architecture ensures that the extension mechanism satisfies the demands of outside developers who wish to incorporate new features. Two unusual extensions are presented: Multiscale, which adds the ability to visualize large-scale molecular assemblies such as viral coats, and Collaboratory, which allows researchers to share a Chimera session interactively despite being at separate locales. Other extensions include Multalign Viewer, for showing multiple sequence alignments and associated structures; ViewDock, for screening docked ligand orientations; Movie, for replaying molecular dynamics trajectories; and Volume Viewer, for display and analysis of volumetric data. A discussion of the usage of Chimera in real-world situations is given, along with anticipated future directions. Chimera includes full user documentation, is free to academic and nonprofit users, and is available for Microsoft Windows, Linux, Apple Mac OS X, SGI IRIX, and HP Tru64 Unix from http://www.cgl.ucsf.edu/chimera/. Copyright 2004 Wiley Periodicals, Inc.
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            U-Net: Convolutional Networks for Biomedical Image Segmentation

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              <i>Coot</i> : model-building tools for molecular graphics

              Acta Crystallographica Section D Biological Crystallography, 60(12), 2126-2132
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                Author and article information

                Contributors
                coss@cnb.csic.es
                jvargas@fis.ucm.es
                Journal
                Commun Biol
                Commun Biol
                Communications Biology
                Nature Publishing Group UK (London )
                2399-3642
                15 July 2021
                15 July 2021
                2021
                : 4
                : 874
                Affiliations
                [1 ]GRID grid.428469.5, ISNI 0000 0004 1794 1018, Biocomputing Unit, , Centro Nacional de Biotecnología-CSIC, ; Madrid, Spain
                [2 ]GRID grid.14709.3b, ISNI 0000 0004 1936 8649, Department of Anatomy and Cell Biology, , McGill University, ; Montréal, QC Canada
                [3 ]GRID grid.4795.f, ISNI 0000 0001 2157 7667, Departamento de Óptica, , Universidad Complutense de Madrid, ; Madrid, Spain
                [4 ]GRID grid.4991.5, ISNI 0000 0004 1936 8948, Present Address: Department of Statistics, , University of Oxford, ; Oxford, UK
                Author information
                http://orcid.org/0000-0001-6156-3542
                http://orcid.org/0000-0003-0788-8447
                http://orcid.org/0000-0002-9473-283X
                Article
                2399
                10.1038/s42003-021-02399-1
                8282847
                34267316
                6369b26c-a7eb-4a5b-9acd-88fae50aead0
                © The Author(s) 2021

                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/.

                History
                : 20 August 2020
                : 17 June 2021
                Funding
                Funded by: FundRef https://doi.org/10.13039/100012818, Comunidad de Madrid;
                Award ID: CAM (S2017/BMD-3817)
                Award Recipient :
                Funded by: FundRef https://doi.org/10.13039/501100003329, Ministerio de Economía y Competitividad (Ministry of Economy and Competitiveness);
                Award ID: BIO2016-76400-R
                Award Recipient :
                Funded by: FundRef https://doi.org/10.13039/501100003176, Ministerio de Educación, Cultura y Deporte (Ministry of Education, Culture and Sports, Spain);
                Award ID: FPU 2015-00264
                Award Recipient :
                Funded by: Spanish Ministry of Science and Innovation through the call 2019 Proyectos de I+D+i - RTI Tipo A (PID2019-108850RA-I00) and Ramon y Cajal RYC2018-024087-I
                Categories
                Article
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                © The Author(s) 2021

                cryoelectron microscopy,data processing
                cryoelectron microscopy, data processing

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