18 citations · 44 across the 12 of their papers we have counts for
3 papers · 1 filter
Decomposed Direct Preference Optimization for Structure-Based Drug Design
Xiwei Cheng, Xiangxin Zhou, Yuwei Yang +2
Diffusion models have achieved promising results for Structure-Based Drug Design (SBDD). Nevertheless, high-quality protein subpocket and ligand data are relatively scarce, which h…
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization
Xiangxin Zhou, Xiwei Cheng, Yuwei Yang +3
Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling t…
Antigen-Specific Antibody Design via Direct Energy-based Preference Optimization
Xiangxin Zhou, Dongyu Xue, Ruizhe Chen +3
Antibody design, a crucial task with significant implications across various disciplines such as therapeutics and biology, presents considerable challenges due to its intricate nat…