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To further investigate the impact of RNA input amounts on expression data, Pearson's correlation coefficients between all experimental data were computed.
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There was no significant difference in BP between all experimental groups (data not shown).
Here let us note that all comparisons between the experimental data and our model are burdened with several issues.
In order to determine the deviations between all calculated and experimental data, root mean square deviation (σRMSD) was calculated as follows: σ RMSD = 1 n ∑ i = 1 n P Exp − P Cal P Exp i 2 0.5 × 100.
Note that all cases again show a very good agreement between the experimental data and the numerically fitted curve.
Our results demonstrated a good correlation between computational and experimental data, and all six analogues displayed an improved potency for inhibiting IN binding to LEDGF/p75 in vitro to respect to the parent compound Lavendustin B. Additionally, these analogs show to inhibit weakly LEDGF/p75-independent IN catalytic activity suggesting a multimodal allosteric mechanism of action.
The correspondence between the experimental data and the model is generally quite close for all four participants.
The high values of regression coefficients (r >0.9841) for all the compounds investigated proved the excellent fit between experimental data and the Snyder Soczewiński equation.
Also, comparisons have shown good agreement between the experimental data and predicted results.
A reasonable agreement between the experimental data and the simulation results was observed.
There is somewhat of a good match between the experimental data and the calculated results.
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