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The structures are similar to those \nobtained by\nX-ray diffraction with the exception of a close carboxylate\noxygen-to-metal distance and only five observed close metal-to-\noxygen\nligating interactions. Molecular dynamics involving the derived\nstructure of the sodium salt at increasing relative permittivity \nsheds\nlight on the mechanism by which monensin binds to and unbinds \nfrom\nsodium ions in the membrane surface. The series of structures as \nthe\nsize of the metal ion increases also shows that the whole \nmonensin\nmolecule adapts to incorporate changes in the ionic radius \nincluding\nchanges in torsion angles, changes in heterocyclic ring \nconformations\nand changes in the ligation and hydrogen bonding patterns.", "digital" : null, "printed" : null, "sourceYear" : 2023, "foreignEdition" : true, "foreignLanguage" : true, "fullPublication" : true, "conferencePublication" : false, "nationalOrigin" : null, "missingAuthor" : false, "oaType" : "NONE", "oaCheckDate" : "2024-02-22", "oaFree" : false, "citationCount" : 42, "citationCountUnpublished" : 1, "citationCountWoOther" : 42, "independentCitCountWoOther" : 41, "nationalOriginCitationCount" : 3, "foreignEditionCitationCount" : 42, "doiCitationCount" : 41, "wosCitationCount" : 39, "scopusCitationCount" : 41, "wosScopusCitationCount" : 42, "wosScopusCitationCountWoOther" : 42, "wosScopusIndependentCitationCount" : 41, "wosScopusIndependentCitationCountWoOther" : 41, "independentCitationCount" : 41, "selfCitationCount" : 1, "unhandledCitationCount" : 0, "citingPubCount" : 42, "independentCitingPubCount" : 41, "citingPubCountWoOther" : 42, "independentCitingPubCountWoOther" : 41, "unhandledCitingPubCount" : 0, "citedPubCount" : 2, "citedCount" : 2, "hasCitationDuplums" : false, "userChangeableUntil" : "2023-09-07T13:51:37.406+0000", "directInstitutesForSort" : "Gyógyszerkémiai Intézet (SZTE / GYTK)", "ownerAuthorCount" : 1, "ownerInstituteCount" : 14, "directInstituteCount" : 1, "authorCount" : 4, "contributorCount" : 0, "hasQualityFactor" : false, "link" : "/api/publication/34132415", "label" : "Martinek T. et al. 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