A novel heuristic of rigid docking scores positively correlates with full-length nuclear receptor LRH-1 regulation.
Zeinab Haratipour, David Foutch, Raymond D. Blind
This paper introduces a novel docking score metric, ΔΔG, which correlates with full-length LRH-1 regulation by compounds in cell-based assays.
Computational and Structural Biotechnology Journal · Jul 30, 2024Peer-reviewedPharmacology & Toxicology