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MUBD-HDACs are the only comprehensive and maximal-unbiased benchmarking datasets for HDACs (including Sirtuins) that are available so far.
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MUBD-HDACs were created by MUBD-DecoyMaker 1.0, a Pipeline Pilot-based computational tool developed by our lab.
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If you find it useful, please cite the following publications:
- Xia, J.; Tilahun, E. L.; Kebede, E. H.; Reid, T. E.; Zhang, L.; Wang, X. S., Comparative modeling and benchmarking data sets for human histone deacetylases and sirtuin families. J Chem Inf Model 2015, 55, 374-88. https://pubs.acs.org/doi/10.1021/ci5005515
- Xia, J.; Jin, H.; Liu, Z.; Zhang, L.; Wang, X. S., An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs. J Chem Inf Model 2014, 54, 1433-50. https://pubs.acs.org/doi/10.1021/ci500062f
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MUBD-HDACs are easily accessible by downloading all the files here and unzipping them.
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Any question or feedback is welcome. Please send emails to jie.william.xia@hotmail.com (Dr. Jie Xia) or x.simon.wang@gmail.com (Dr. Simon Wang)