26 citations · 28 across the 2 of their papers we have counts for
3 papers
q-bio.BM2024
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…
q-bio.BM2024★ 26 cited
DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design
Jiaqi Guan, Xiangxin Zhou, Yuwei Yang +6
Designing 3D ligands within a target binding site is a fundamental task in drug discovery. Existing structured-based drug design methods treat all ligand atoms equally, which ignor…
q-bio.BM2024★ 2 cited
Binding-Adaptive Diffusion Models for Structure-Based Drug Design
Zhilin Huang, Ling Yang, Zaixi Zhang +6
Structure-based drug design (SBDD) aims to generate 3D ligand molecules that bind to specific protein targets. Existing 3D deep generative models including diffusion models have sh…