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The ManifoldEM method for cryo-EM: a step-by-step breakdown accompanied by a modern Python implementation

delete2025-02-28
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PRE
AI
A
Anupam Anand Ojha
R
Robert N. Blackwell
E
Eduardo R. Cruz-Chú
D
Dsouza, R
M
Miro A. Astore
P
Peter Schwander
S
Sonya M. Hanson
DOI:10.1107/S2059798325001469delete
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Abstract

Abstract

En 中文
Resolving continuous conformational heterogeneity in single-particle cryoelectron microscopy (cryo-EM) is a field in which new methods are now emerging regularly. Methods range from traditional statistical techniques to state-of-the-art neural network approaches. Such ongoing efforts continue to enhance the ability to explore and understand the continuous conformational variations in cryo-EM data. One of the first methods was the manifold embedding approach or ManifoldEM. However, comparing it with more recent methods has been challenging due to software availability and usability issues. In this work, we introduce a modern Python implementation that is user-friendly, orders of magnitude faster than its previous versions and designed with a developer-ready environment. This implementation allows a more thorough evaluation of the strengths and limitations of methods addressing continuous conformational heterogeneity in cryo-EM, paving the way for further community-driven improvements.
Keywords:
cryo-EM
conformational heterogeneity
Python
manifold analysis

Journal

Acta Crystallographica Section D Structural Biology cover
Acta Crystallographica Section D Structural Biology
IF:
3.8
Papers:
10
Citations:
2.0W

Organization

M
Morgridge Inst Res
Scholars:
31
Papers: 11
Citations: 0