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Journal of Physical Chemistry B, Vol.113, No.14, 4501-4507, 2009
A Blind Challenge for Computational Solvation Free Energies: Introduction and Overview
The accompanying set of papers arose from a recent blind challenge to computational solvation energies. The challenge was based on a set of 63 drug-like molecules for which solvation energies could be extracted from the literature. While the results are encouraging, there is still need for improvement.