6 citations · 13 across the 4 of their papers we have counts for
4 papers
LabOS: The AI-XR Co-Scientist That Sees and Works With Humans
Le Cong, David Smerkous, Xiaotong Wang +30
Modern science advances fastest when thought meets action. LabOS represents the first AI co-scientist that unites computational reasoning with physical experimentation through mult…
PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking
Yize Jiang, Xinze Li, Yuanyuan Zhang +13
Existing protein-ligand docking studies typically focus on the self-docking scenario, which is less practical in real applications. Moreover, some studies involve heavy frameworks…
FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling
Zaixi Zhang, Mengdi Wang, Qi Liu
Structure-based drug design (SBDD), which aims to generate 3D ligand molecules binding to target proteins, is a fundamental task in drug discovery. Existing SBDD methods typically…
Geometric Deep Learning for Structure-Based Drug Design: A Survey
Zaixi Zhang, Jiaxian Yan, Yining Huang +4
Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical mod…