Julong Yang

DeCoDe: Decoupling Binding Position and Molecular Conformation in 3D Ligand Diffusion for Structure-Based Drug Design

Recent advances in diffusion models show promise for Structure-Based Drug Design (SBDD), which aims to generate 3D ligand molecules that bind tightly to specific protein targets. This involves jointly optimizing the ligand's 3D conformation and its binding position within the protein pocket. However…