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MUBD-hCRs represent a unique and maximal unbiased benchmark that covers major CRs subtypes so far.
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MUBD-hCRs 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.; Reid, T. E.; Wu, S.; Zhang, L.; Wang, X. S., Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis. J Chem Inf Model 2018, 58, 1104-1120. https://pubs.acs.org/doi/10.1021/acs.jcim.8b00004
- 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-hCRs are easily accessible by downloading the zip file and unzipping it.
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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)