Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations
Figure 2
Transmembrane region and binding pocket root mean square deviation.
Root mean square deviation (RMSD) of backbone atoms of all alpha helices (left) and of residues in the binding site (right) for unliganded β2AR (black), unliganded β1AR (blue), isoprenaline-bound β2AR (green) and isoprenaline-bound β1AR (red).