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• W2019432874 abstract "We report the analysis of an in-house fragment screening campaign for the oncology target MEK1. The application of virtual screening (VS) as a primary fragment screening approach, followed by biophysical validation using differential screening fluorimetry (DSF), with resultant binding mode determination by X-ray crystallography (X-ray), is presented as the most time and cost-effective combination of in silico and in vitro methods to identify fragments. We demonstrate the effectiveness of the VS–DSF workflow for the early identification of fragments to both ‘jump-start’ the drug discovery project and to complement biochemical screening data." @default.
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• W2019432874 date "2013-06-01" @default.
• W2019432874 modified "2023-09-27" @default.
• W2019432874 title "The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1" @default.
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• W2019432874 doi "https://doi.org/10.1016/j.bmcl.2013.04.003" @default.
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