Figure 6
From: FMO-guided design of darunavir analogs as HIV-1 protease inhibitors
(A) The results of ΔGbind (kcal/mol) based on the SIE and MM/GBSA methods are shown as the mean ± standard error of the mean (SEM) of simulations (B) Pearson correlation coefficient (r2) analyses between SIE and MM/GBSA are plotted. \({{\Delta\Delta G}}_{bind}^{DRV}\) illustrated by the dash line as a standard ΔΔGbind.
