Rizzo Lab Downloads

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  • DGHYD Hydration Database
    • Rizzo, R. C.; Aynechi, T.; Case, D. A.; Kuntz, I. D. Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions. J. Chem. Theory Comput., 2006, 2, 128-139 [1]

  • SB2010 Docking Database (N=780 systems)
    • Mukherjee, S.; Balius, T.E.; Rizzo, R. C. Docking Validation Resources: Protein Family and Ligand Flexibility Experiments. J. Chem. Inf. Model, 2010, 50, 1986-2000 [2]

  • SB2012 Docking Database (Expanded version of SB2010, N=1043 systems)

  • De novo Ligand Construction Downloads - Coming Soon