Official repository for GeoDock: Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.
GeoDock is a novel multi-track iterative transformer network designed to address limitations in conventional protein-protein docking algorithms and existing deep learning methods. It is capable of predicting docked structures from separate docking partners, allowing for flexibility at the protein residue level to accommodate conformational changes upon binding. GeoDock attains an average inference speed of under one second on a single GPU, enabling its application in large-scale structure screening.
Try protein docking in Google Colab
If you run into any problems while using GeoDock, please create a Github issue with a description of the problem and the steps to reproduce it.
@article{chu2023flexible,
title={Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer},
author={Chu, Lee-Shin and Ruffolo, Jeffrey A and Harmalkar, Ameya and Gray, Jeffrey J},
journal={Protein Science},
pages={e4862},
year={2023},
publisher={Wiley Online Library}
}