most citedGeneral Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design

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cs.LG2026★ 3 cited

General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design

Yue Jian, Curtis Wu, Danny Reidenbach +1

Structure-based drug design (SBDD) aims to generate ligands that bind strongly and specifically to target protein pockets. Recent diffusion models have advanced SBDD by capturing t…