Fig. 4From: Predicting the mutation effects of protein–ligand interactions via end-point binding free energy calculations: strategies and analysesImpact of mutation properties on the predicting accuracy. A Single or multiple mutation(s), B the number of heavy atoms change in mutations, and C the change of charge state of the mutation on the predicting accuracy. All the investigation were performed based on MM/GBSA at εin = 2 and 100 ns MD simulationBack to article page