Article
Computational detection of the binding-site hot spot at the remodeled human growth hormone-receptor interface.
Proteins - 1 Nov 2003
Verkhivker Gennady M, Bouzida Djamal, Gehlhaar Daniel K, Rejto Paul A, Freer Stephan T, Rose Peter W
Abstract excerpt
A hierarchical computational approach is used to identify the engineered binding-site cavity at the remodeled intermolecular interface between the mutants of human growth hormone (hGH) and the extracellular domain of its receptor (hGHbp). Multiple docking simulations are conducted with the remodeled hGH-hGHbp complex for a panel of potent benzimidazole-containing inhibitors that can restore the binding affinity...
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