Difference between revisions of "Rizzo Lab Downloads"
From Rizzo_Lab
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*[[SB2010]] Docking Database (N=780 systems) | *[[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 [http://pubs.acs.org/doi/abs/10.1021/ci1001982] |
Revision as of 09:16, 20 November 2013
- Free Energy of Hydration Test-set
- 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 testset N=1043 systems)
- De novo Ligand Construction Downloads - Coming Soon
