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Thermodynamic cycle to calculate the binding free energy (ΔGbind) using the double decoupling approach. ΔGLIG→DUMfree and ΔGLIG→DUM are the free energies of decoupling the ligand from its surrounding in the free and bound states. ΔGrestr is the free energy of restraining a dummy ligand to a certain volume inside the protein using a harmonic distance restraint.
