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Laikov, D.N. and Ustynyuk, Yu.A. (2005) PRIPODA-04: A Qiantem-Chemical Program Suite. New Possibilities in the Study of Molecular Systems with the Application Parallel Computing. Russ. Chem. Bull., Int. Ed., 54, 820-826.

has been cited by the following article:

• TITLE: Quantum-Chemical Description of Influence of the R-Groups on Formation of Peptide Bond

  AUTHORS: Jumber Kereselidze, Marine Kvaraia, George Mikuchadze

  KEYWORDS: Amino Acids Sequence, Peptide Bond, DFT Calculations

  JOURNAL NAME: Computational Molecular Bioscience, Vol.4 No.2, September 17, 2014

  ABSTRACT: The description of influence of the R-groups on formation of the peptide bond by quantum-chemical method of density functional theory (DFT) is carried out. The criterion of probability of formation of the peptide bond has been constructed. In particular it is shown that the propensity to formation of the peptide bond is increased as a result of 1) decrease of the CO and NH bond orders (PCO and PNH) and of activation energy (ΔE#), 2) increase of OH and CN bond orders (POH and PCN), 3) exothermic property of this reaction (ΔE