Mobley Lab Datasets

Parent: Department of Pharmaceutical Sciences, UCI

eScholarship stats: History by Item for May through August, 2026

ItemTitleTotal requests2026-082026-072026-062026-05
6sd403pzExperimental and Calculated Small Molecule Hydration Free Energies711165120197229
7cf8c6crAdvancing predictive modeling through focused development of model systems to drive new modeling innovations16443174658
9p37m6bqPredicting binding free energies: Frontiers and benchmarks (a perpetual review)16442262769
53n2h10tThe Guthrie Hydration Free Energy Database of Experimental Small Molecule Hydration Free Energies13537223640
2jq8s2zrResults of the 2017 Roadmap survey of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge community1282892863
1d84z259The BLUES Report: Towards fragment binding mode occupancies8625101635
27d9s5j9Supporting files for "Is ring breaking feasible in relative binding free energy calculations?"821642537
6x56p5s9A call for regularly updated review/survey articles: "Perpetual Reviews"59114935
30c9r5qjSupporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database5410101519

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