Forced unbinding profile of pranlukast. Panel a and b compare the unbinding simulations of pranlukast from the WT (in red) and the R255I (in black) receptor models: panel a shows the work developed to unbind pranlukast; panel b shows the displacement of the COM of the ligand from its starting position. Panel c and d show the distances between groups of atoms of the ligand that form polar or hydrophobic interactions with atoms of the WT or the R255I models, respectively.
Parravicini et al. BMC Structural Biology 2010 10:8 doi:10.1186/1472-6807-10-8