Rank-Resolved Multi-Engine Docking and Optuna-Optimized Re-Ranking with ProDock for Virtual Screening
Hoang-Son Lai Le, Thanh-An Pham, Ngoc-Tam Nguyen Tran, Phuoc-Chung Van Nguyen, Tieu-Long Phan, Tuyen Ngoc Truong
The paper improves virtual screening by combining multiple docking engines with optimized re-ranking, enhancing true-positive candidate identification.
bioRxiv · Jul 24, 2026 · PreprintPharmacology & Toxicology