Peptide models XXIX. cis-trans Isomerism of peptide bonds: Ab initio study on small peptide model compound; the 3D-Ramachandran map of formylglycinamide

dc.creatorBaldoni, Hector Armando
dc.creatorZamarbide, Graciela Nidia
dc.creatorEnriz, Ricardo Daniel
dc.creatorJauregui, Esteban Adrian
dc.creatorFarkas, Od̈ön
dc.creatorPerczel, András
dc.creatorSalpietro, Salvatore J.
dc.creatorCsizmadia, Imre Gyula
dc.date.accessioned2021-06-25T19:35:46Z
dc.date.accessioned2022-10-15T09:36:04Z
dc.date.available2021-06-25T19:35:46Z
dc.date.available2022-10-15T09:36:04Z
dc.date.created2021-06-25T19:35:46Z
dc.date.issued2000-04-03
dc.identifierBaldoni, Hector Armando; Zamarbide, Graciela Nidia; Enriz, Ricardo Daniel; Jauregui, Esteban Adrian; Farkas, Od̈ön; et al.; Peptide models XXIX. cis-trans Isomerism of peptide bonds: Ab initio study on small peptide model compound; the 3D-Ramachandran map of formylglycinamide; Elsevier Science; Journal of Molecular Structure Theochem; 500; 1-3; 3-4-2000; 97-111
dc.identifier0166-1280
dc.identifierhttp://hdl.handle.net/11336/134971
dc.identifierCONICET Digital
dc.identifierCONICET
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/4371066
dc.description.abstractThermodynamic separations for cis and trans-amides and formylglycinamide range from 0.00 to 4.77 kcal/mol as computed at various levels of theory. The barriers for trans ← cis-isomerization, for the same set of compounds, computed at various levels of theory, were found between 15.69 and 22.67 kcal/mol. The cis- and trans-Ramachandran maps of formylglycinamide are compared and the topology of the ab initio 3D-Ramachandran map is presented for the first time.
dc.languageeng
dc.publisherElsevier Science
dc.relationinfo:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0166128000003729
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/S0166-1280(00)00372-9
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.rightsinfo:eu-repo/semantics/restrictedAccess
dc.subjectTRANS- AND CIS-RAMACHANDRAN MAPS
dc.subjectTOPOLOGY OF A 3D-RAMACHANDRAN MAP
dc.subjectRELATIVE STABILITY OF CIS- AND TRANS-PEPTIDE BONDS
dc.subjectBARRIERS TO TRANS- TO CIS-ISOMERIZATION
dc.titlePeptide models XXIX. cis-trans Isomerism of peptide bonds: Ab initio study on small peptide model compound; the 3D-Ramachandran map of formylglycinamide
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:ar-repo/semantics/artículo
dc.typeinfo:eu-repo/semantics/publishedVersion


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