Maximal Unbiased Benchmarking Data Sets for Human Chemokine Receptors and Comparative Analysis.

ABSTRACT: Chemokine receptors (CRs) have long been druggable targets for the treatment of inflammatory diseases and HIV-1 infection. As a powerful technique, virtual screening (VS) has been widely applied to identifying small molecule leads for modern drug targets including CRs. For rational selection of a wide variety of VS approaches, ligand enrichment assessment based on a benchmarking data set has become an indispensable practice. However, the lack of versatile benchmarking sets for the whole CRs family that are able to unbiasedly evaluate every single approach including both structure- and ligand-based VS somewhat hinders modern drug discovery efforts. To address this issue, we constructed Maximal Unbiased Benchmarking Data sets for human Chemokine Receptors (MUBD-hCRs) using our recently devel

SUBMITTER: Xia J 

PROVIDER: S-EPMC6197807 | biostudies-literature | 2018 May

REPOSITORIES: biostudies-literature