Triglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis tools

dc.contributor.authorDimakopoulos, K. D.en
dc.contributor.authorPapageorgiou, D. G.en
dc.contributor.authorDemetropoulos, I. N.en
dc.date.accessioned2015-11-24T17:31:46Z
dc.date.available2015-11-24T17:31:46Z
dc.identifier.issn0892-7022-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/13622
dc.rightsDefault Licence-
dc.subjecttributyrinen
dc.subjecttriacetinen
dc.subjectconformer librariesen
dc.subjectdatabaseen
dc.titleTriglyceride reference database: large scale storage of 3D triglyceride conformers and web-based analysis toolsen
heal.abstractThe Triglyceride Reference Database (TRDB) contains conformer libraries of two triglycerides (tributyrin and triacetin) optimized at various levels of theory. The purpose of the TRDB project and its accompanying interface is to generate, store, process and retrieve triglyceride conformers; hence, it addresses problems and questions concerning geometrical properties, or relative conformer energies, that are of importance (among other uses) to force field evaluations.en
heal.accesscampus-
heal.fullTextAvailabilityTRUE-
heal.identifier.primaryDoi 10.1080/08927020701579337-
heal.identifier.secondary<Go to ISI>://000251152900005-
heal.identifier.secondaryhttp://www.tandfonline.com/doi/pdf/10.1080/08927020701579337-
heal.journalNameMolecular Simulationen
heal.journalTypepeer reviewed-
heal.languageen-
heal.publicationDate2007-
heal.publisherTaylor & Francisen
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μηχανικών Επιστήμης Υλικώνel
heal.typejournalArticle-
heal.type.elΆρθρο Περιοδικούel
heal.type.enJournal articleen

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