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Automation of absolute protein-ligand binding free energy calculations for docking refinement and compound evaluation | Scientific Reports
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Water Networks Contribute to Enthalpy/Entropy Compensation in Protein–Ligand Binding | Journal of the American Chemical Society
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SOLVED: When a certain protein molecule binds to DNA, the entropy decreases by 2 kcal/degree: At the same time; it releases 700 kcal of enthalpy: What is the Gibbs energy change for
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Entropy–enthalpy transduction caused by conformational shifts can obscure the forces driving protein–ligand binding | PNAS
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