Hello Amber Users,
I am using MM_PBSA to calculate the binding free energy of a system in DMSO. With respect to the nonpalar energy contribution to the free energy of solvation I am trying to find out whether the relationship between the nonpolar term of the freen energy is linearly dependant on the solvent accessible surface. The papers that I come accross deal with water as solvent. I also find general citations that the solute-solvent DG(vdw+cavity) is proportional to the SA. Does this also apply to DMSO? Any suggestions of how to treat the gama and b parameters of the nonpolar term in the case of DMSO would be mostly welcomed.
Many thanks for the help.
Best wishes,
John
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Received on Thu Sep 02 2004 - 01:15:11 PDT
