In Silico Deconstruction of ATP-Competitive Inhibitors of Glycogen Synthase Kinase-3β


Fragment-based methods have emerged in the last two decades as alternatives to traditional high throughput screenings for the identification of chemical starting points in drug discovery. One arguable yet popular assumption about fragment-based design is that the fragment binding mode remains conserved upon chemical expansion. For instance, the question of… (More)
DOI: 10.1021/ci300355p