Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models

arXiv — cs.LGWednesday, November 19, 2025 at 5:00:00 AM
  • Apo2Mol introduces a novel framework for generating 3D molecules by considering the dynamic nature of protein binding pockets, which is crucial for effective drug design. This method leverages a comprehensive dataset from the Protein Data Bank, marking a significant advancement in the field of structure
  • The development of Apo2Mol is significant as it enhances the ability to create small molecule ligands that can effectively bind to target proteins, potentially accelerating the drug discovery process and improving therapeutic outcomes.
— via World Pulse Now AI Editorial System

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