Predictions of hydration free energies from continuum solvent with solute polarizable models: the SAMPL2 blind challenge

By Meunier Alexandre   Truchon Jean-François  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 361-372

Springer Publishing Company

Access to resources Recommend Favorite

Blind prediction test of free energies of hydration with COSMO-RS

By Klamt Andreas   Diedenhofen Michael  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 357-360

Springer Publishing Company

Access to resources Recommend Favorite

Prediction of SAMPL2 aqueous solvation free energies and tautomeric ratios using the SM8, SM8AD, and SMD solvation models

By Ribeiro Raphael   Marenich Aleksandr   Cramer Christopher   Truhlar Donald  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 317-333

Springer Publishing Company

Access to resources Recommend Favorite

SAMPL2 challenge: prediction of solvation energies and tautomer ratios

By Skillman A.   Geballe Matthew   Nicholls Anthony  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 257-258

Springer Publishing Company

Access to resources Recommend Favorite

Rapid prediction of solvation free energy. 3. Application to the SAMPL2 challenge

By Purisima Enrico   Corbeil Christopher   Sulea Traian  

Journal of Computer-Aided Molecular Design, Vol. 24, Iss. 4, 2010-04 ,pp. : 373-383

Springer Publishing Company

Access to resources Recommend Favorite