SCARdock is a free web server for screening covalent ligands based on our SCAR strategy.
Please visit the SCARdock web server to have a try.
This server also contains three datasets useful for the discovering of covalent ligands:
- 1. A manually curated dataset containing 954 published high-quality complex structures of covalent ligands and protein targets.
- 2. A manually collected and curated dataset of 68 experimentally confirmed covalent warheads targeting 11 residues.
- 3. A pre-filtered and ready-to-use dataset containing 690,018 entries of purchasable compounds containing 68 warheads targeting 11 residues.
If you are using the SCARdock server and/or datasets, please cite:
1. Discovery of covalent ligands via noncovalent docking by dissecting covalent docking based on a “steric-clashes alleviating receptor (SCAR)” strategy. Yuanbao Ai#, Lingling Yu#, Xiao Tan#, Xiaoying Chai, Sen Liu*. Journal of Chemical Information and Modeling, 2016, 56(8): 1563-1575.
2. SCARdock: a web server and manually curated resource for discovering covalent ligands. Qi Song#, Lingyu Zeng#, Qiang Zheng, Sen Liu*. ACS Omega, 2023, 8(11): 10397–10402.
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