Quantum chemical calculations on small protein models

Research output: Chapter in Book/Report/Conference proceedingChapter

1 Citation (Scopus)


After the definition of the peptide bond and its strength, as measured by its amidicity values the Ramachandran type potential energy surface (PES) of the backbone was investigated. Various alternatives, such as fitting mathematical functions the PES and its toroidal representation were discussed. A brief review of small peptides and oligopeptides was presented from a historic point of view. Peptide radicals as the cause of aging and numerous diseases were also outline. Finally it was concluded that the ultimate peptide and protein folding problem can be expected only after the chemical problem is rephrased as a mathematical problem.

Original languageEnglish
Title of host publicationProtein Modelling
PublisherSpringer International Publishing
Number of pages46
ISBN (Electronic)9783319099767
ISBN (Print)3319099752, 9783319099750
Publication statusPublished - Jul 1 2014

ASJC Scopus subject areas

  • Chemistry(all)

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  • Cite this

    Jákli, I., Perczel, A., Viskolcz, B., & Csizmadia, I. G. (2014). Quantum chemical calculations on small protein models. In Protein Modelling (Vol. 9783319099767, pp. 5-50). Springer International Publishing. https://doi.org/10.1007/978-3-319-09976-7_2