Fig. 8
From: Improved homology modeling of the human & rat EP4 prostanoid receptors
Desmond MD simulation using OPLS3 force field. Specific residue interactions are shown versus time. The overall favored interactions are shown in 2-D representation with the percent time during simulation where direct interactions are made. a Residue interactions with PGE2 within hEP4. b 2-D representation of PGE2 and its key interactions within human receptor. c Fraction of interactions captured between residues of hEP4 and PGE2, either through direct H-bonds (green), hydrophobic interactions (purple), water bridges (blue), or ionic contacts (none detected). d Residue interactions with PGE2 within rEP4. e 2-D representation of PGE2 and its key interactions within rEP4 receptor. f Fraction of interactions captured between residues of rEP4 and PGE2, either through direct H-bonds (green), hydrophobic interactions (purple), water bridges (blue), or ionic contacts (none detected)