Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14610%2F23%3A00130195" target="_blank" >RIV/00216224:14610/23:00130195 - isvavai.cz</a>
Result on the web
<a href="https://www.nature.com/articles/s41467-023-35791-y" target="_blank" >https://www.nature.com/articles/s41467-023-35791-y</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41467-023-35791-y" target="_blank" >10.1038/s41467-023-35791-y</a>

Result language
angličtina
Original language name
Estimating conformational landscapes from Cryo-EM particles by 3D Zernike polynomials
Original language description
The new developments in Cryo-EM Single Particle Analysis are helping us to understand how the macromolecular structure and function meet to drive biological processes. By capturing many states at the particle level, it is possible to address how macromolecules explore different conformations, information that is classically extracted through 3D classification. However, the limitations of classical approaches prevent us from fully understanding the complete conformational landscape due to the reduced number of discrete states accurately reconstructed. To characterize the whole structural spectrum of a macromolecule, we propose an extension of our Zernike3D approach, able to extract per-image continuous flexibility information directly from a particle dataset. Also, our method can be seamlessly applied to images, maps or atomic models, opening integrative possibilities. Furthermore, we introduce the ZART reconstruction algorithm, which considers the Zernike3D deformation fields to revert particle conformational changes during the reconstruction process, thus minimizing the blurring induced by molecular motions.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Project
<a href="/en/project/LM2018140" target="_blank" >LM2018140: e-Infrastructure CZ</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2023
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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