Haruspex: A Neural Network for the Automatic Identification of Oligonucleotides and Protein Secondary Structure in Cryo‐Electron Microscopy Maps

Please always quote using this URN: urn:nbn:de:bvb:20-opus-214763
  • In recent years, three‐dimensional density maps reconstructed from single particle images obtained by electron cryo‐microscopy (cryo‐EM) have reached unprecedented resolution. However, map interpretation can be challenging, in particular if the constituting structures require de‐novo model building or are very mobile. Herein, we demonstrate the potential of convolutional neural networks for the annotation of cryo‐EM maps: our network Haruspex has been trained on a carefully curated set of 293 experimentally derived reconstruction maps toIn recent years, three‐dimensional density maps reconstructed from single particle images obtained by electron cryo‐microscopy (cryo‐EM) have reached unprecedented resolution. However, map interpretation can be challenging, in particular if the constituting structures require de‐novo model building or are very mobile. Herein, we demonstrate the potential of convolutional neural networks for the annotation of cryo‐EM maps: our network Haruspex has been trained on a carefully curated set of 293 experimentally derived reconstruction maps to automatically annotate RNA/DNA as well as protein secondary structure elements. It can be straightforwardly applied to newly reconstructed maps in order to support domain placement or as a starting point for main‐chain placement. Due to its high recall and precision rates of 95.1 % and 80.3 %, respectively, on an independent test set of 122 maps, it can also be used for validation during model building. The trained network will be available as part of the CCP‐EM suite.show moreshow less

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Metadaten
Author: Philipp Mostosi, Hermann Schindelin, Philip Kollmannsberger, Andrea Thorn
URN:urn:nbn:de:bvb:20-opus-214763
Document Type:Journal article
Faculties:Fakultät für Biologie / Rudolf-Virchow-Zentrum
Language:English
Parent Title (English):Angewandte Chemie International Edition
Year of Completion:2020
Volume:59
Issue:35
First Page:14788
Last Page:14795
Source:Angewandte Chemie International Edition 59(35):14788-14795. DOI: 10.1002/anie.202000421
DOI:https://doi.org/10.1002/anie.202000421
Dewey Decimal Classification:5 Naturwissenschaften und Mathematik / 57 Biowissenschaften; Biologie / 570 Biowissenschaften; Biologie
Tag:DNA structures; RNA structures; electron microscopy; neural networks; protein structures
Release Date:2021/04/20
Licence (German):License LogoCC BY: Creative-Commons-Lizenz: Namensnennung 4.0 International