no code implementations • 5 Apr 2022 • Seung-gu Kang, Jeffrey K. Weber, Joseph A. Morrone, Leili Zhang, Tien Huynh, Wendy D. Cornell
Proteins in complex with small molecule ligands represent the core of structure-based drug discovery.
no code implementations • 19 Jul 2021 • Seung-gu Kang, Joseph A. Morrone, Jeffrey K. Weber, Wendy D. Cornell
The application of deep learning to generative molecule design has shown early promise for accelerating lead series development.
no code implementations • 27 Nov 2020 • Leili Zhang, Giacomo Domeniconi, Chih-Chieh Yang, Seung-gu Kang, Ruhong Zhou, Guojing Cong
Drug discovery is a multi-stage process that comprises two costly major steps: pre-clinical research and clinical trials.