Scripts

All the below scripts can be found in GitHub Page.

association_curve_fitting.py

This script was used to generate the Figure 3 in the paper.

ic50.py

This script was used to generate the Figure 4 in the paper.

ki_app_calc.py & ki_app_calc_small_insert.py

This script was used to generate the Figure 5 in the paper.

association_curve_fitting_SI_1.py

This script was used to generate the Figure S1, S2, and S3 in the supporting information.

association_curve_fitting_SI_2.py

This script was used to generate the Figure S4 and S5 in the supporting information.

ki_app_calc_mpmath.py

This script was used to generate the Figure S10 in the supporting information.

pl_kd_relationship_perc.py

This script was used to generate the Figure S11 in the supporting information.

detailed_kd_ki_pl.py

This script was used to generate the Figure S12 in the supporting information.

cubic_equation_rounding_error.py

This script demonstrated that the rounding errors in cubic equation could be avoided by using the correct unit.