Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies - researchr publication

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Ignacio Soteras, Modesto Orozco, F. Javier Luque. Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies. Journal of Computer-Aided Molecular Design, 24(4):281-291, 2010. [doi]

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