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Modeling of helix formation in peptides containing aspartic and glutamic residues
Computer Research and Modeling, 2010, v. 2, no. 1, pp. 83-90Views (last year): 2. Citations: 4 (RSCI).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.
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International Interdisciplinary Conference "Mathematics. Computing. Education"