Blar i forfatter Artikler, rapporter og annet (kjemi) "Narayanan, Dilip"

Viser treff 1-2 av 2

    • Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR 

      Narayanan, Dilip; Gani, Osman; Gruber, Franz; Engh, Richard Alan (Journal article; Tidsskriftartikkel; Peer reviewed, 2017-07-04)
      Drug design of protein kinase inhibitors is now greatly enabled by thousands of publicly available X-ray structures, extensive ligand binding data, and optimized scaffolds coming off patent. The extensive data begin to enable design against a spectrum of targets (polypharmacology); however, the data also reveal heterogeneities of structure, subtleties of chemical interactions, and apparent inconsistencies ...

    • Evaluating the Predictivity of Virtual Screening for Abl Kinase Inhibitors to Hinder Drug Resistance 

      Gani, Osman A.B.S.M.; Narayanan, Dilip; Engh, Richard Alan (Journal article; Tidsskriftartikkel; Peer reviewed, 2013-06-08)
      Virtual screening methods are now widely used in early stages of drug discovery, aiming to rank potential inhibitors. However, any practical ligand set (of active or inactive compounds) chosen for deriving new virtual screening approaches cannot fully represent all relevant chemical space for potential new compounds. In this study, we have taken a retrospective approach to evaluate virtual screening ...