Covalent docking of large libraries for the discovery of chemical probes
作者： Brian Shoichet , Jack Taunton , N London , RM Miller , S Krishnan
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摘要: A modification of the in silico screening tool, DOCK, allows for identification compounds that covalently modify catalytic and noncatalytic protein nucleophiles to modulate activities bacterial β-lactamase kinases RSK2, MSK1 JAK3.
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