Webserver & command-line tool for search of Apo (unbound) protein structures from Holo (bound) forms and vice versa.
- customizable search of Apo-Holo pairs in the PDB
- alignment to the query structure
- batch mode for fast parallel dataset processing
- visualization via Molstar and PyMol
- public documented REST-API
Web interface is now available at: http://apoholo.cz
Standalone Python command line application: https://github.com/ioChris/AHoJ
Article in Bioinformatics: https://doi.org/10.1093/bioinformatics/btac701
Preprint on bioRxiv: https://doi.org/10.1101/2022.09.05.496878
Poster introducing the method: https://www.researchgate.net/publication/359512815_AHoJ_Rapid_tailored_search_and_retrieval_of_apo_and_holo_protein_structures
The project will be released soon as open source on GitHub. ⭐ or follow this repo for further updates.