{"entities":{"Q6699433":{"pageid":14418408,"ns":120,"title":"Item:Q6699433","lastrevid":54708662,"modified":"2026-01-29T20:00:35Z","type":"item","id":"Q6699433","labels":{"en":{"language":"en","value":"Input files for binding energy calculations in \"Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation\""}},"descriptions":{"en":{"language":"en","value":"Dataset published at Zenodo repository."}},"aliases":{},"claims":{"P31":[{"mainsnak":{"snaktype":"value","property":"P31","hash":"dae155fd0809a7906855cd4fa50dd7d71bed552b","datavalue":{"value":{"entity-type":"item","numeric-id":56885,"id":"Q56885"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$9ED43C65-F01A-41CC-92FD-806A85D96D33","rank":"normal"}],"P1459":[{"mainsnak":{"snaktype":"value","property":"P1459","hash":"9a4a952273ec1c26320e807f77a74c428a040a27","datavalue":{"value":"Input files (meshes, pqr, cavities)for binding energy calculations in the manuscript Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation (preprint athttps://arxiv.org/abs/2305.11886). Thisdata set of molecular structures was originally proposed by Harris, R.C., Boschtisch, A.H., and Fenley, M.O., JCTC 9 (8) (2013) (https://doi.org/10.1021/ct300765w). Scripts to generate results are available inhttps://github.com/MichalBosy/FEM_BEM_coupling/.","type":"string"},"datatype":"string"},"type":"statement","id":"Q6699433$DF3DD0F8-9AAB-4F76-950C-439EB9845B77","rank":"normal"}],"P28":[{"mainsnak":{"snaktype":"value","property":"P28","hash":"0246298f82ae42fca113dccc25c58aeea1bc1ac9","datavalue":{"value":{"time":"+2023-09-29T00:00:00Z","timezone":0,"before":0,"after":0,"precision":11,"calendarmodel":"http://www.wikidata.org/entity/Q1985727"},"type":"time"},"datatype":"time"},"type":"statement","id":"Q6699433$4FF8FDC5-1B44-4100-B73A-7C04653E1AC5","rank":"normal"}],"P16":[{"mainsnak":{"snaktype":"value","property":"P16","hash":"4d1fa75ff81f74e11e2c937a2c7ae4e1f9568bd8","datavalue":{"value":{"entity-type":"item","numeric-id":6699430,"id":"Q6699430"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$B114FA01-1634-4BB3-879F-B60541DABE15","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"ee53032ffde67d572df1d0cc5d8a2265fa486542","datavalue":{"value":{"entity-type":"item","numeric-id":6699431,"id":"Q6699431"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$42AAD352-BDEC-4CD2-B303-3A6215343241","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"47d49a352fcfe4719d328c837c9ac34a8fd115d9","datavalue":{"value":{"entity-type":"item","numeric-id":541917,"id":"Q541917"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$B66D023A-EE0E-401E-9FA4-F279157C4B09","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"3c627cb5cd0daae76a33425c63c9dc3d568bbff2","datavalue":{"value":{"entity-type":"item","numeric-id":281217,"id":"Q281217"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$203B3D33-2C76-466E-83E0-4E4BACA2F985","rank":"normal"},{"mainsnak":{"snaktype":"value","property":"P16","hash":"cb5df559d60e2448cd235b19d028adb712bcde60","datavalue":{"value":{"entity-type":"item","numeric-id":6699432,"id":"Q6699432"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$FDB43034-5D50-4FD1-B5DB-66C82D9FA1A6","rank":"normal"}],"P227":[{"mainsnak":{"snaktype":"value","property":"P227","hash":"c504f6cbadb6e89c650c7a06f5fcd74f23236214","datavalue":{"value":"8393170","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q6699433$6078637E-DEAD-44A2-B178-5B4914D07135","rank":"normal"}],"P27":[{"mainsnak":{"snaktype":"value","property":"P27","hash":"142c507e8bd0173260eb7c1897883875158b0d38","datavalue":{"value":"10.5281/zenodo.8393170","type":"string"},"datatype":"external-id"},"type":"statement","id":"Q6699433$29CE9106-AC2D-4E3E-A99F-3AA916E35545","rank":"normal"}],"P163":[{"mainsnak":{"snaktype":"value","property":"P163","hash":"45fcd4163b5f33e6e8c784f5522d7246c0a1a61e","datavalue":{"value":{"entity-type":"item","numeric-id":57056,"id":"Q57056"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$F7C7E1E8-3270-4CAD-9690-E55D16454B25","rank":"normal"}],"P1460":[{"mainsnak":{"snaktype":"value","property":"P1460","hash":"d1e8073b72a070520efd3d14d4b3d2d3d03859e2","datavalue":{"value":{"entity-type":"item","numeric-id":5984635,"id":"Q5984635"},"type":"wikibase-entityid"},"datatype":"wikibase-item"},"type":"statement","id":"Q6699433$817E0EF1-2C17-4628-BDDB-A1927B394085","rank":"normal"}]},"sitelinks":{"mardi":{"site":"mardi","title":"Input files for binding energy calculations in \"Coupling finite and boundary element methods to solve the Poisson--Boltzmann equation for electrostatics in molecular solvation\"","badges":[],"url":"https://portal.mardi4nfdi.de/wiki/Input_files_for_binding_energy_calculations_in_%22Coupling_finite_and_boundary_element_methods_to_solve_the_Poisson--Boltzmann_equation_for_electrostatics_in_molecular_solvation%22"}}}}}