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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jun 16, 2023
- Source ID
- 10.1107/s2059798323004497
Entities
People
- Carlos Oscar Sanchez Sorzano
- D. Herreros
- I. Hamitouche
- J. M. Carazo
- James Krieger
- Marcos Gragera
- Mohamad Harastani
- P. Conesa
- R. Serrano Gutiérrez
- Roberto Melero
- Rémi Vuillemot
- S. Jonic
- Y. Fonseca
Organizations
- Agence Nationale de la Recherche
- Air Force Office of Scientific Research
- GENCI
- Horizon 2020
- Ministry of Science of Spain
- National Center for Scientific Research
- National Institute of General Medical Sciences