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- W2003048838 abstract "The competitive binding of inhibitors to purine nucleoside phosphorylase (PNP) has been experimentally measured. Fast and reliable computational methods to estimate binding would allow assessment of any proposed inhibitor before its synthesis. Binding-energy calculations with a representative set of PNP inhibitors were compared to the empirical values. Relatively simple and fast calculations were executed with X-PLOR, DelPhi and SoftDock. The computational results are mixed." @default.
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- W2003048838 date "1995-07-01" @default.
- W2003048838 modified "2023-09-25" @default.
- W2003048838 title "Calculation of relative binding affinities of purine nucleoside phosphorylase inhibitors" @default.
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- W2003048838 doi "https://doi.org/10.1107/s0907444995000448" @default.
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