A novel heuristic of rigid docking scores positively correlates with full-length nuclear receptor LRH-1 regulation.
Z. Haratipour, D. Foutch, R. Blind
This paper introduces a novel docking score metric, ΔΔG, which correlates with full-length LRH-1 regulation by compounds in cell-based assays.
bioRxiv · May 5, 2024Pharmacology & Toxicology