4.6 Article

Spectral decomposition of atomic structures in heterogeneous cryo-EM

期刊

INVERSE PROBLEMS
卷 39, 期 3, 页码 -

出版社

IOP Publishing Ltd
DOI: 10.1088/1361-6420/acb2ba

关键词

heterogeneous cryo-EM; atomic structure decomposition; graph Laplacian; tomographic reconstruction

向作者/读者索取更多资源

This paper presents the problem of reconstructing the three-dimensional atomic structure of a flexible macromolecule from a cryogenic electron microscopy (cryo-EM) dataset. By assuming that the macromolecule can be modeled as a chain or discrete curve, a method is introduced to estimate the deformation of the atomic model with respect to a given conformation. The method involves estimating the torsion and bond angles of the atomic model in each conformation as a linear combination of the eigenfunctions of the Laplace operator in the manifold of conformations.
We consider the problem of recovering the three-dimensional atomic structure of a flexible macromolecule from a heterogeneous cryogenic electron microscopy (cryo-EM) dataset. The dataset contains noisy tomographic projections of the electrostatic potential of the macromolecule, taken from different viewing directions, and in the heterogeneous case, each cryo-EM image corresponds to a different conformation of the macromolecule. Under the assumption that the macromolecule can be modelled as a chain, or discrete curve (as it is for instance the case for a protein backbone with a single chain of amino-acids), we introduce a method to estimate the deformation of the atomic model with respect to a given conformation, which is assumed to be known a priori. Our method consists on estimating the torsion and bond angles of the atomic model in each conformation as a linear combination of the eigenfunctions of the Laplace operator in the manifold of conformations. These eigenfunctions can be approximated by means of a well-known technique in manifold learning, based on the construction of a graph Laplacian using the cryo-EM dataset. Finally, we test our approach with synthetic datasets, for which we recover the atomic model of two-dimensional and three-dimensional flexible structures from simulated cryo-EM images.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据