Mobley Lab Datasets

Parent: Department of Pharmaceutical Sciences, UCI

eScholarship stats: History by Item for December, 2024 through March, 2025

ItemTitleTotal requests2025-032025-022025-012024-12
6sd403pzExperimental and Calculated Small Molecule Hydration Free Energies41111610210489
53n2h10tThe Guthrie Hydration Free Energy Database of Experimental Small Molecule Hydration Free Energies5113141113
2jq8s2zrResults of the 2017 Roadmap survey of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge community36611118
7cf8c6crAdvancing predictive modeling through focused development of model systems to drive new modeling innovations3679128
9p37m6bqPredicting binding free energies: Frontiers and benchmarks (a perpetual review)3491456
6x56p5s9A call for regularly updated review/survey articles: "Perpetual Reviews"2381023
30c9r5qjSupporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database228824
1d84z259The BLUES Report: Towards fragment binding mode occupancies187542
27d9s5j9Supporting files for "Is ring breaking feasible in relative binding free energy calculations?"176353

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