5 citations · 7 across the 4 of their papers we have counts for
4 papers
Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design
Kangyu Zheng, Kai Zhang, Jiale Tan +7
Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. Whi…
FoldMark: Protecting Protein Generative Models with Watermarking
Zaixi Zhang, Ruofan Jin, Kaidi Fu +3
Protein structure is key to understanding protein function and is essential for progress in bioengineering, drug discovery, and molecular biology. Recently, with the incorporation…
Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?
Kangyu Zheng, Yingzhou Lu, Zaixi Zhang +4
Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. Whi…
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…