Probing Structural Perturbation of Biomolecules by Extracting Cryo-EM Data Heterogeneity
Abstract
:1. Introduction
2. Typical Workflow of Single-Particle Cryo-EM
3. Sources of the Cryo-EM Image Data Heterogeneity
4. Conventional Approaches to Study Cryo-EM Data Heterogeneity
4.1. Conventional Multivariate Statistical Analysis (MSA)
4.2. Regularized Likelihood Approach
5. Continuous Structural Heterogeneity Derived from Cryo-EM Data
5.1. Covariance Matrix Estimation
5.2. Hyper-Molecules
5.3. 3DVA (3D Variability Analysis) Approach
5.4. CryoDRGN
6. Mapping Energy Landscape from Cryo-EM Data
7. Hybrid Approaches with Molecular Dynamic Simulations
7.1. Detecting Structural Variability Based on the Resolution Anisotropy
7.2. Molecular Dynamics Flexible Fitting (MDFF)
8. Time-Resolved Cryo-EM Studies
9. Interpretation of the Extracted Information for Biomolecular Perturbation
10. Summary and Outlook
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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DeVore, K.; Chiu, P.-L. Probing Structural Perturbation of Biomolecules by Extracting Cryo-EM Data Heterogeneity. Biomolecules 2022, 12, 628. https://doi.org/10.3390/biom12050628
DeVore K, Chiu P-L. Probing Structural Perturbation of Biomolecules by Extracting Cryo-EM Data Heterogeneity. Biomolecules. 2022; 12(5):628. https://doi.org/10.3390/biom12050628
Chicago/Turabian StyleDeVore, Kira, and Po-Lin Chiu. 2022. "Probing Structural Perturbation of Biomolecules by Extracting Cryo-EM Data Heterogeneity" Biomolecules 12, no. 5: 628. https://doi.org/10.3390/biom12050628