Subject: Solvation energies of iodide organic compounds

From: Cláudio Soares <[email-masked]>
Date: Tue, 13 Jul 1999 16:06:16 +0100

Dear CClers

	We need solvation parameters for iodine to apply in molecular docking
methods (G=alpha*SAS like methods). So far we did not find any parameter
for iodine in the literature. Is anyone aware of these parameters for
iodine somewhere?

	Alternatively, we can try to derive these parameters for iodine ourselves,
but for that we need solvation energies (in water) of organic molecules
containing iodine and that hasn't been easy either.

	Regards,

	Cláudio Soares

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