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Detalle de: Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM

Title Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM
Abstract

Understanding how structure and function meet to drive biological processes is progressively shifting the cryoEM field towards a more advanced analysis of macromolecular flexibility. Thanks to techniques such as single-particle analysis and electron tomography, it is possible to image a macromolecule in different states, information that can subsequently be extracted through advanced image-processing methods to build a richer approximation of a conformational landscape. However, the interoperability of all of these algorithms remains a challenging task that is left to users, preventing them from defining a single flexible workflow in which conformational information can be addressed by different algorithms. Therefore, in this work, a new framework integrated into Scipion is proposed called the Flexibility Hub. This framework automatically handles intercommunication between different heterogeneity software, simplifying the task of combining the software into workflows in which the quality and the amount of information extracted from flexibility analysis is maximized.

Apa Reference Herreros, D., Krieger, J.M., Fonseca, Y., Conesa, P., Harastani, M., Vuillemot, R., Hamitouche, I., Serrano Gutiérrez, R., Gragera, M., Melero, R., Jonic, S., Carazo, J.M. & Sorzano, C.O.S. (2023). Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM. Acta Crystallographica Section D Structural Biology, 79(7), 569-584. 10.1107/s2059798323004497
Doi 10.1107/s2059798323004497
Publication Date 16 Jun 2023
Publication Type Article
Researcher Jose María Salvador Carazo Garcia
Ontology Bioinformatics Software and Tools, Experimental structure determination, Molecular flexibility, FAIRfication, Structure-function relationship, Cryo-electron microscopy
Research Groups
Tools

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