Uni-Dock: GPU-Accelerated Docking Enables Ultra-Large Virtual Screening
Published in Journal of Chemical Theory and Computation, 2023
Based on CUDA, Uni-Dock achieved more than 1600 times acceleration on GPU compared to CPU and saved five times the cost without losing accuracy. Integrated into advanced industrial Computer-aided drug design (CADD) product, Uni-Dock enables ultra-large virtual screening of early-stage drug discovery in hours, used by hundreds of chemists.
Recommended citation: Yuejiang, Yu. (2023). "Uni-Dock: GPU-Accelerated Docking Enables Ultra-Large Virtual Screening." Journal of Chemical Theory and Computation 19.11 (2023). [https://doi.org/10.26434/chemrxiv-2022-5t5ts](https://pubs.acs.org/doi/abs/10.1021/acs.jctc.2c01145)