SCARdock

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.
These datasets can be downloaded from the SCARdock web server

 

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*. Submitted.

 

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