Mobley Lab Datasets

Parent: Department of Pharmaceutical Sciences, UCI

eScholarship stats: Breakdown by Item for September through December, 2024

ItemTitleTotal requestsDownloadView-only%Dnld
6sd403pzExperimental and Calculated Small Molecule Hydration Free Energies39503950.0%
53n2h10tThe Guthrie Hydration Free Energy Database of Experimental Small Molecule Hydration Free Energies390390.0%
9p37m6bqPredicting binding free energies: Frontiers and benchmarks (a perpetual review)300300.0%
2jq8s2zrResults of the 2017 Roadmap survey of the Statistical Assessment of Modeling of Proteins and Ligands (SAMPL) challenge community2832510.7%
7cf8c6crAdvancing predictive modeling through focused development of model systems to drive new modeling innovations28101835.7%
6x56p5s9A call for regularly updated review/survey articles: "Perpetual Reviews"141137.1%
1d84z259The BLUES Report: Towards fragment binding mode occupancies130130.0%
27d9s5j9Supporting files for "Is ring breaking feasible in relative binding free energy calculations?"130130.0%
30c9r5qjSupporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database130130.0%

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