Molecular BiologybioRxivPreprint
MFPLI: A Computational Framework for Assessing Biological Authenticity of Protein-Ligand Interactions Using Molecular Fingerprints and Structural Features
Hao Zhang, Jiqing Zheng, Haoxiang Li…·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.
DOI 10.1101/2025.06.19.659858