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- [31] Calculation of salt-dependent free energy of binding of β-lactoglobulin homodimer formation and mechanism of dimer formation using molecular dynamics simulation and three-dimensional reference interaction site model (3D-RISM): diffuse salt ions and non-polar interactions between the monomers favor the dimer formation PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (04) : 2142 - 2156