MM/PBSA binding free energies (kJ/mol) of wild-type and mutant AIRE-PHD1/H3K4me0 complexes.
Datasets usually provide raw data for analysis. This raw data often comes in spreadsheet form, but can be any collection of data, on which analysis can be performed.
difference between wild-type and mutant experimental binding free energies.3
computational binding free energies.4
difference between computational binding free energies of wild-type and mutant complex.5
polar solvation term.7
polar term (sum of coulombic and polar solvation terms).8
van der Waals term.9
non-polar solvation term.10
non-polar term (sum of van der Waals and non polar solvation terms).
Standard errors are given in parentheses.