chiLife: An open-source Python package for in silico spin labeling and integrative protein modeling
Fig 7
Comparison of distance distribution predictions using different scoring functions.
A) Definition and application of custom energy function using chiLife. B) Experimental distance distributions for two site pairs of MPB, taken from [59], are compared to the predicted distance distributions from spin labels modeled using a modified Lennard–Jones potential and a custom function that augments the same potential with an additional term to account for compensatory attractive forces with the solvent.