3DFlex: determining structure and motion of flexible proteins from cryo-EM

A Punjani, DJ Fleet - Nature Methods, 2023 - nature.com
Modeling flexible macromolecules is one of the foremost challenges in single-particle
cryogenic-electron microscopy (cryo-EM), with the potential to illuminate fundamental …

Methods for cryo-EM single particle reconstruction of macromolecules having continuous heterogeneity

B Toader, FJ Sigworth, RR Lederman - Journal of molecular biology, 2023 - Elsevier
Macromolecules change their shape (conformation) in the process of carrying out their
functions. The imaging by cryo-electron microscopy of rapidly-frozen, individual copies of …

Computational methods for single-particle electron cryomicroscopy

A Singer, FJ Sigworth - Annual review of biomedical data …, 2020 - annualreviews.org
Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for
elucidating the three-dimensional (3D) structure of proteins and other biologically significant …

Cryodrgn2: Ab initio neural reconstruction of 3d protein structures from real cryo-em images

ED Zhong, A Lerer, JH Davis… - Proceedings of the …, 2021 - openaccess.thecvf.com
Protein structure determination from cryo-EM data requires reconstructing a 3D volume (or
distribution of volumes) from many noisy and randomly oriented 2D projection images. While …

Amortized inference for heterogeneous reconstruction in cryo-em

A Levy, G Wetzstein, JNP Martel… - Advances in neural …, 2022 - proceedings.neurips.cc
Cryo-electron microscopy (cryo-EM) is an imaging modality that provides unique insights
into the dynamics of proteins and other building blocks of life. The algorithmic challenge of …

Reconstructing continuous distributions of 3D protein structure from cryo-EM images

ED Zhong, T Bepler, JH Davis, B Berger - arXiv preprint arXiv:1909.05215, 2019 - arxiv.org
Cryo-electron microscopy (cryo-EM) is a powerful technique for determining the structure of
proteins and other macromolecular complexes at near-atomic resolution. In single particle …

3D flexible refinement: structure and motion of flexible proteins from Cryo-EM

A Punjani, DJ Fleet - BioRxiv, 2021 - biorxiv.org
Single particle cryo-EM excels in determining static structures of biological macromolecules
such as proteins. However, many proteins are dynamic, with their motion inherently linked to …

MDSPACE: Extracting continuous conformational landscapes from Cryo-EM single particle datasets using 3D-to-2D flexible fitting based on molecular dynamics …

R Vuillemot, A Mirzaei, M Harastani… - Journal of Molecular …, 2023 - Elsevier
This article presents an original approach for extracting atomic-resolution landscapes of
continuous conformational variability of biomolecular complexes from cryo electron …

DeepHEMNMA: ResNet-based hybrid analysis of continuous conformational heterogeneity in cryo-EM single particle images

I Hamitouche, S Jonic - Frontiers in Molecular Biosciences, 2022 - frontiersin.org
Single-particle cryo-electron microscopy (cryo-EM) is a technique for biomolecular structure
reconstruction from vitrified samples containing many copies of a biomolecular complex …

A Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experiments

J Giraldo-Barreto, S Ortiz, EH Thiede… - Scientific reports, 2021 - nature.com
Cryo-electron microscopy (cryo-EM) extracts single-particle density projections of individual
biomolecules. Although cryo-EM is widely used for 3D reconstruction, due to its single …