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Hydrogen bond networks of six compounds with P-gp in the release stage. The hydroxyl group position influences the binding affinity of BER and THA (a) and of COL and JAT (b). The correlation between hydroxyl group number and binding affinities by comparing BBR with THA (c), BBR with DEM (d), and DEM with COL (e). For clarity, the hydrogen bonds of DEM are shown in d but not in e
