This repository contains the code used to generate the data and figures for:
@article{payne_how_2025,
title = {How many crystal structures do you need to trust your docking results?},
url = {https://www.biorxiv.org/content/early/2025/09/24/2025.09.19.677428},
doi = {10.1101/2025.09.19.677428},
journal = {bioRxiv},
publisher = {Cold Spring Harbor Laboratory},
author = {Payne, Alexander Matthew and Kaminow, Benjamin and MacDermott-Opeskin, Hugo and Pulido, Iván and Scheen, Jenke and Castellanos, Maria A and Fearon, Daren and Chodera, John D. and Singh, Sukrit},
year = {2025},
note = {\_eprint: https://www.biorxiv.org/content/early/2025/09/24/2025.09.19.677428.full.pdf},
}