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The values approximated and calculated for and for the WT and each mutant Abl1 enzyme. حسب J. Roadnight Sheehan (20141887)

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A visual comparison of the associated resistance data from Table 1 with the values of <i>k</i>_cat, <i>K</i>_M, catalytic efficiency (<i>k</i>_cat/<i>... حسب J. Roadnight Sheehan (20141887)

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The values for <i>k</i>_cat and <i>K</i>_M are sourced from [19]. حسب J. Roadnight Sheehan (20141887)

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The values for and with the resultant ΔΔ<i>G</i>_Mut, found through FEP simulations. ΔΔ<i>G</i>_Mut for the wild-type is 0 kcal/mol. حسب J. Roadnight Sheehan (20141887)

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The table (refined data from [14]) shows the mutants associated with resistance for imatinib, ponatinib, and dasatinib. حسب J. Roadnight Sheehan (20141887)

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The enzyme states and their relative weights within the system in quasi-equilibrium. حسب J. Roadnight Sheehan (20141887)

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A heat map to compare the associated resistances outlined in Table 1 and [14] with the IRP values. حسب J. Roadnight Sheehan (20141887)

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How the variation in inhibitor concentration throughout one day affects the value of IC₅₀/(IC₅₀ + [R]) for different Abl1 inhibitors. حسب J. Roadnight Sheehan (20141887)

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We define the term “inhibitory reduction prowess” (IRP) as the percentage by which the product formation rate is reduced by from the initial point before inhibitor is introduced to... حسب J. Roadnight Sheehan (20141887)

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The values calculated for the inhibitor dissociation constant, as detailed in Eqs 10 and 11 and approximated values for the binding rate constants of the inhibitors. حسب J. Roadnight Sheehan (20141887)

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Values for the calculation of the time-dependent drug concentrations in the system based on observed data found and derived from a variety of sources. حسب J. Roadnight Sheehan (20141887)

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To bridge two naming conventions (one more suitable to mathematical notation and one more conventional in enzymology), the table matches the rate constants as described in Eq 2 to... حسب J. Roadnight Sheehan (20141887)

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A cartoon of the simplified model of the Abl1 enzyme system. حسب J. Roadnight Sheehan (20141887)

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Residence times, <i>t</i>_R, of the inhibitor molecules unbinding from the wild-type from [41] and the rates of calculated from them. حسب J. Roadnight Sheehan (20141887)

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Various outputs from the model with the drug imatinib. حسب J. Roadnight Sheehan (20141887)

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