I need to validate my binding free energy prediction tool by comparing its value with the experimental value. To do so I need experimental ΔG value but it is not provided directly. Diffrent databases and literature provides diffrent values which need diffrent operations to calculate the experimental ΔG.
The data is given in -logKd , -logKi , -logIC50 , Ki , KD and IC50 format.
For example -logKd = 8, -logKi = 2, -logIC50 = 7, Ki = 9, KD = 3 and IC50= 4. Unit is nM
Please provide the explaination with formula and example.
I can make and share an automatic script which can calculate the ΔG from these data formats.
Thank you