Figure 2
Error analysis and validation.
(a) Implementation of error analysis using a block residual resampling scheme. (b) Simulated protein-ligand titrations with a fixed protein concentration of 50 μM and ligand concentrations of 0 (red), 12.5 (yellow), 25 (green), 50 (cyan), 62.5 (blue) and 75 μM (purple), with the Kd and koff parameters varied as indicated. (c) Q-Q plot of z-scores of fitted parameters for the simulated test data in (b), with standard errors calculated by residual resampling using conventional methods or 5 × 5 blocks as indicated. The standard normal distribution is indicated by a dashed line.
