Year: 2026
CNN-Based Scoring Functions Enhance Binding Energy Discrimination: A Comparative Analysis of GNINA 1.0 and AutoDock 4.2 for Acetylcholinesterase Inhibitors
Napa Boonma, Sanhajutha Puangmala, and Prasan Tangyuenyongwatana
Pages: 244 - 251
Keywords: GNINA 1.0, convolutional neural networks, molecular docking, AutoDock 4.2, acetylcholinesterase inhibitors, rhodanine derivatives