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

Thermodynamic 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/...

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Bibliographic Details
Authors: Baldoni, Hector Armando, Zamarbide, Graciela Nidia, Enriz, Ricardo Daniel, Jauregui, Esteban Adrian, Farkas, Od̈ön, Perczel, András, Salpietro, Salvatore J., Csizmadia, Imre Gyula
Format: article
Status:Published version
Publication Date:2000
Country:Argentina
Institution:Consejo Nacional de Investigaciones Científicas y Técnicas
Repository:CONICET Digital (CONICET)
Language:English
OAI Identifier:oai:ri.conicet.gov.ar:11336/134971
Online Access:http://hdl.handle.net/11336/134971
Access Level:Open access
Keyword:TRANS- AND CIS-RAMACHANDRAN MAPS
TOPOLOGY OF A 3D-RAMACHANDRAN MAP
RELATIVE STABILITY OF CIS- AND TRANS-PEPTIDE BONDS
BARRIERS TO TRANS- TO CIS-ISOMERIZATION
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
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Summary:Thermodynamic 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.

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