Article
Modified AutoDock for accurate docking of protein kinase inhibitors.
Journal of computer-aided molecular design - 1 Feb 2002
Buzko Oleksandr V, Bishop Anthony C, Shokat Kevan M
Abstract excerpt
Protein kinases are an important class of enzymes controlling virtually all cellular signaling pathways. Consequently, selective inhibitors of protein kinases have attracted significant interest as potential new drugs for many diseases. Computational methods, including molecular docking, have increasingly been used in the inhibitor design process [1]. We have considered several docking packages in order to...
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