2 papers
cs.LG2026
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…
cs.CR2024
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…