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Prediction of SAMPL2 aqueous solvation free energies and tautomeric ratios using the SM8, SM8AD, and SMD solvation models.
Raphael F. Ribeiro
Aleksandr V. Marenich
Christopher J. Cramer
Donald G. Truhlar
Published in:
J. Comput. Aided Mol. Des. (2010)
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