期刊
JOURNAL OF MEDICINAL CHEMISTRY
卷 49, 期 16, 页码 4805-4808出版社
AMER CHEMICAL SOC
DOI: 10.1021/jm060522a
关键词
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The ability of molecular docking, using the program Glide and an MM-GBSA postdocking scoring protocol, to correctly rank a number of congeneric kinase inhibitors was assessed. The approach was successful for the cases considered and suggests that this may be useful for the design of inhibitors in the lead optimization phase of drug discovery.
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