Modeling of helix formation in peptides containing aspartic and glutamic residues

Kondratyev M.S., Kabanov A.V., Komarov V.M.
 pdf (445K)  / List of references

In present work we used the methods of molecular dynamics simulations and quantum chemistry to study the concept, according to which aspartic and glutamic residues play a key role in initiation of helix formation in oligopeptides. It has been shown, that the first turn of the alpha-helix can be organized from various amino acid sequences with Asp and Glu residues on the N-terminus. Thermodynamic properties of such a process were analyzed. The obtained results do not interfere with known experimental and statistical data and they substantially elaborate present views on the processes of early peptide folding stages.

Keywords: alpha-helix, amino acids, molecular dynamics simulation, quantum chemistry, H-bonding
Citation in English: Kondratyev M.S., Kabanov A.V., Komarov V.M. Modeling of helix formation in peptides containing aspartic and glutamic residues // Computer Research and Modeling, 2010, vol. 2, no. 1, pp. 83-90
Citation in English: Kondratyev M.S., Kabanov A.V., Komarov V.M. Modeling of helix formation in peptides containing aspartic and glutamic residues // Computer Research and Modeling, 2010, vol. 2, no. 1, pp. 83-90
DOI: 10.20537/2076-7633-2010-2-1-83-90
URL: http://crm-en.ics.org.ru/journal/article/1653/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.
Views (last year): 2. Citations: 4 (RSCI).

Indexed in Scopus

Full-text version of the journal is also available on the web site of the scientific electronic library eLIBRARY.RU

The journal is included in the Russian Science Citation Index

The journal is included in the RSCI

International Interdisciplinary Conference "Mathematics. Computing. Education"

Copyright © 2009–2024 Institute of Computer Science