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What is DRDOCK?
DRDOCK is a web server that performs online automatic virtual drug screening of 2016 FDA-approved drugs on a user-submitted target protein. Its goal is to facilitate the drug repurposing to extend the possible treatments toward life-threaten and epidemic diseases. This is achieved by combining the molecular docking and molecular dynamic (MD) simulations to prioritize drugs of strong binders from non-binder. The only things the user required to provide are a well-patched protein structure made of a single peptide chain in PDB format and the target residues IDs to which the drugs expected to bind. DRDOCK is freely accessed without login requirements. Find more in Tutorials. |
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Reference: Tsai,KL. and and Yang,LW. (2021) DRDOCK: A DrugRepurposing platform integrating automated docking, simulation and a log-odds-based drug ranking scheme. doi: 10.1101/2021.01.31.429052 (To be peer-reviewed) Contact: The server is maintained by the Yang Lab at the Institute of Bioinformatics and Structural Biology at National Tsing Hua University, Taiwan. For questions and comments please contact Kun-Lin Tsai.
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