Figure 4From: Rehabilitating drug-induced long-QT promoters: In-silico design of hERG-neutral cisapride analogues with retained pharmacological activity (left) The dynamics of cisapride in the A 2A binding pocket (Backbone RMSD after 50 ns ~3.1 Å). (right) Summary of the MM/GB-SA decomposition analysis (per-residue and per-group contributions) from the last 40 ns of the MD simulation of the A2A-cisapride complex.Back to article page