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Effects of drugs on gA monomer ↔ dimer transition. (a) Snapshots for two gA monomers (colored cyan and orange) and the dimeric channel in the DC22:1PC bilayer doped with capsaicin (colored yellow). Effects of different drugs on the PMF for gA monomer ↔ dimer transition in (b) DC18:1PC and (c) DC22:1PC bilayers. All of the CG PMF profiles are well converged (see Supporting Information) and the error bars are within 0.05 kcal/mol.
