Enhancing the effectiveness of virtual screening by using the ChemBioServer: Application to the discovery of PI3Kα inhibitors

Abstract

The application of an in-house developed web server called ChemBioServer to the filtering and selection of drug candidates for the inhibition of the PI3Kα protein is presented. 1000 candidate molecules were initially selected from a virtual screening experiment. Those molecules were then filtered for steric clashes, physicochemical and toxicity properties… (More)
DOI: 10.1109/BIBE.2012.6399686

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