23 citations · 25 across the 2 of their papers we have counts for
2 papers
q-bio.BM2023★ 23 cited
Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?
Yuejiang Yu, Shuqi Lu, Zhifeng Gao +2
Molecular docking, given a ligand molecule and a ligand binding site (called ``pocket'') on a protein, predicting the binding mode of the protein-ligand complex, is a widely used t…
q-bio.BM2023★ 2 cited
3D Molecular Generation via Virtual Dynamics
Shuqi Lu, Lin Yao, Xi Chen +3
Structure-based drug design, i.e., finding molecules with high affinities to the target protein pocket, is one of the most critical tasks in drug discovery. Traditional solutions,…