no code implementations • 28 May 2024 • Yuanle Mo, Xin Hong, Bowen Gao, Yinjun Jia, Yanyan Lan
Protein-protein interactions are central mediators in many biological processes.
no code implementations • 21 Feb 2024 • Xiangzhe Kong, Yinjun Jia, Wenbing Huang, Yang Liu
Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable.
no code implementations • 9 Nov 2023 • Shikun Feng, Minghao Li, Yinjun Jia, WeiYing Ma, Yanyan Lan
The binding between proteins and ligands plays a crucial role in the realm of drug discovery.
no code implementations • 11 Oct 2023 • Bowen Gao, Yinjun Jia, Yuanle Mo, Yuyan Ni, WeiYing Ma, ZhiMing Ma, Yanyan Lan
Pocket representations play a vital role in various biomedical applications, such as druggability estimation, ligand affinity prediction, and de novo drug design.
1 code implementation • 10 Oct 2023 • Bowen Gao, Bo Qiang, Haichuan Tan, Minsi Ren, Yinjun Jia, Minsi Lu, Jingjing Liu, WeiYing Ma, Yanyan Lan
Virtual screening, which identifies potential drugs from vast compound databases to bind with a particular protein pocket, is a critical step in AI-assisted drug discovery.