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Intensity-Based Skeletonization of CryoEM Gray-Scale Images Using a True Segmentation-Free Algorithm

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TLDR
This paper presents a segmentation-free approach to extract the gray-scale curve-like skeletons of cryo-electron microscopy images, which relies on a novel representation of the 3D image, where the image is modeled as a graph and a set of volume trees.
Abstract
Cryo-electron microscopy is an experimental technique that is able to produce 3D gray-scale images of protein molecules. In contrast to other experimental techniques, cryo-electron microscopy is capable of visualizing large molecular complexes such as viruses and ribosomes. At medium resolution, the positions of the atoms are not visible and the process cannot proceed. The medium-resolution images produced by cryo-electron microscopy are used to derive the atomic structure of the proteins in de novo modeling. The skeletons of the 3D gray-scale images are used to interpret important information that is helpful in de novo modeling. Unfortunately, not all features of the image can be captured using a single segmentation. In this paper, we present a segmentation-free approach to extract the gray-scale curve-like skeletons. The approach relies on a novel representation of the 3D image, where the image is modeled as a graph and a set of volume trees. A test containing 36 synthesized maps and one authentic map shows that our approach can improve the performance of the two tested tools used in de novo modeling. The improvements were 62 and 13 percent for Gorgon and DP-TOSS, respectively.

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Journal ArticleDOI

Tracing Beta Strands Using StrandTwister from Cryo-EM Density Maps at Medium Resolutions

TL;DR: A method is proposed, StrandTwister, to detect the traces of β strands through the analysis of twist, an intrinsic nature of a β sheet, quite accurately, particularly at the central area of aβ sheet.
Journal ArticleDOI

An Effective Computational Method Incorporating Multiple Secondary Structure Predictions in Topology Determination for Cryo-EM Images

TL;DR: The algorithm is robust and works well even when errors/misses in the predicted secondary structures are present in the image or the sequence, and the rank of the true topologies is consistently improved by using multiple secondary structure predictions instead of a single prediction.
Journal ArticleDOI

Numerical geometry of map and model assessment.

TL;DR: This work uses simulated fiducials (pseudoatoms) at varying levels of coarse-graining to track the local drift of structural features in cryo-EM maps and proposes quantitative strategies to assess map-model pairs when such secondary structure patterns are prominent.
Journal ArticleDOI

Constrained cyclic coordinate descent for cryo-EM images at medium resolutions: beyond the protein loop closure problem

TL;DR: It is shown that it is possible to build the entire backbone of a protein fairly accurately when the guiding traces are accurate, and the CCCD method incorporated in a simulated annealing framework to sample possible shift, translation, and rotation freedom were ranked high on the list.
References
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Journal ArticleDOI

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

TL;DR: 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.
Journal ArticleDOI

A note on two problems in connexion with graphs

TL;DR: A tree is a graph with one and only one path between every two nodes, where at least one path exists between any two nodes and the length of each branch is given.
Journal ArticleDOI

Protein secondary structure prediction based on position-specific scoring matrices

TL;DR: A two-stage neural network has been used to predict protein secondary structure based on the position specific scoring matrices generated by PSI-BLAST and achieved an average Q3 score of between 76.5% to 78.3% depending on the precise definition of observed secondary structure used, which is the highest published score for any method to date.
Journal ArticleDOI

Distance transformations in digital images

TL;DR: Six different distance transformations, both old and new, are used for a few different applications, which show both that the choice of distance transformation is important, and that any of the six transformations may be the right choice.
Journal ArticleDOI

Determination of the fold of the core protein of hepatitis B virus by electron cryomicroscopy

TL;DR: In this paper, the structure of the core protein of the hepatitis B virus was solved to 7.4 A resolution using electron cryomicroscopy, revealing the complete fold of the polypeptide chain, which is unlike previously solved viral capsid proteins and is largely α-helical.
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