1. SAMPL2 challenge: prediction of solvation energies and tautomer ratios

   • A. Geoffrey Skillman
   • Matthew T. Geballe
   • Anthony Nicholls

   Editorial 28 April 2010 Pages: 257 - 258

2. The SAMPL2 blind prediction challenge: introduction and overview

   • Matthew T. Geballe
   • A. Geoffrey Skillman
   • Peter J. Taylor

   OriginalPaper 09 May 2010 Pages: 259 - 279

   

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

   • Ignacio Soteras
   • Modesto Orozco
   • F. Javier Luque

   OriginalPaper 19 March 2010 Pages: 281 - 291

   

4. SAMPL2 and continuum modeling

   • Anthony Nicholls
   • Stanislaw Wlodek
   • J. Andrew Grant

   OriginalPaper 06 April 2010 Pages: 293 - 306

   

5. Predicting hydration free energies using all-atom molecular dynamics simulations and multiple starting conformations

   • Pavel V. Klimovich
   • David L. Mobley

   OriginalPaper 06 April 2010 Pages: 307 - 316

   

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

   • Raphael F. Ribeiro
   • Aleksandr V. Marenich
   • Donald G. Truhlar

   OriginalPaper 01 April 2010 Pages: 317 - 333

   

7. Analysis of SM8 and Zap TK calculations and their geometric sensitivity

   • Benjamin A. Ellingson
   • A. Geoffrey Skillman
   • Anthony Nicholls

   OriginalPaper 30 April 2010 Pages: 335 - 342

   

8. Prediction of tautomer ratios by embedded-cluster integral equation theory

   • Stefan M. Kast
   • Jochen Heil
   • K. Friedemann Schmidt

   OriginalPaper 30 March 2010 Pages: 343 - 353

   

9. Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory

   • Stefan M. Kast
   • Jochen Heil
   • K. Friedemann Schmidt

   Erratum 05 May 2010 Pages: 355 - 355

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

    • Andreas Klamt
    • Michael Diedenhofen

    OriginalPaper 10 April 2010 Pages: 357 - 360

    

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

    • Alexandre Meunier
    • Jean-François Truchon

    OriginalPaper 31 March 2010 Pages: 361 - 372

    

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

    • Enrico O. Purisima
    • Christopher R. Corbeil
    • Traian Sulea

    OriginalPaper 06 April 2010 Pages: 373 - 383