Blind Virtual Screening at Scale: A Scalable End-to-End Pipeline for Blind Docking and Affinity Prediction
Matthew Parks, Xin Yu, Yuxing Peng, Jayant Bhambhani, Darren Jason Hsu, Duminda S. Ranasinghe, Emine Küçükbenli, Hok Hei Tam
This paper presents a scalable end-to-end pipeline for blind virtual screening using DiffDock and UniDock Vina, achieving high screening performance with minimal pose generation.
bioRxiv · Oct 10, 2025 · PreprintBioinformatics