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

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

URL:  http://www.springerlink.com/content/t04014112597w443/

Authors: Soteras, / Orozco, Modesto / Luque, Francisco Javier

Barcelona Supercomputing Center - Centro Nacional de Supercomputación
Source URL (retrieved on 16 Dic 2024 - 01:04): https://www.bsc.es/es/research-and-development/publications/performance-the-ief-mst-solvation-continuum-model-the-sampl2