Department of Pharmaceutical Sciences, UCI

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Results of the 2017 Roadmap survey of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge community

2017

The BLUES Report: Towards fragment binding mode occupancies
Supporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database
- Duarte Ramos Matos, Guilherme;
- Mobley, David L
The Guthrie Hydration Free Energy Database of Experimental Small Molecule Hydration Free Energies
- Guthrie, J. Peter;
- Mobley, David L
Advancing predictive modeling through focused development of model systems to drive new modeling innovations
Predicting binding free energies: Frontiers and benchmarks (a perpetual review)