Shiyun Nie

M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity

Accurate drug-target affinity (DTA) prediction holds significant potential in the field of artificial intelligence (AI)-based drug discovery. However, existing methods primarily operate at a single scale, specifically at the macro (residue) scale for target proteins and the micro (atom) scale for dr…