MFPLI: A Computational Framework for Assessing Biological Authenticity of Protein-Ligand Interactions Using Molecular Fingerprints and Structural Features
Hao Zhang, Jiqing Zheng, Haoxiang Li, Shizhang Wan, Guiyu Guan, Bin Li, Lei Liu, Wei He
MFPLI evaluates protein-ligand binding authenticity using deep learning with physicochemical and structural features, achieving high accuracy in distinguishing native conformations from docking poses.
bioRxiv · Jun 19, 2025 · PreprintMolecular Biology