L. I. Ismailova

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Theoretical conformational analysis was carried out for the cardioactive nonapeptide Met1-Met9-NH2. Calculations yielded the values of all dihedral angles of the back bone and side chains of the nonapeptide various forms as well as intra- and interresidue interaction energies.
The spatial structure of the cardioactive octapeptide Pro1-Gln2-Asp3-Pro4-Phe5-Leu6-Arg7-Ile8-NH2 was investigated using the theoretical conformational analysis. The low-energy conformations of the octapeptide molecule were found, the values of dihedral angles of the backbone and side chains of the amino acid residues constituting the peptide were(More)
One of the basic problems for molecular biophysics is investigating of the spatial structure of the peptide molecules and their structure-functional organization. Computer modeling helps to solve this problem. This work is devoted to study the spatial organization, conformational possibilities of the analogues of myelopeptide molecules for the first time.(More)
Theoretical conformational analysis was used to study the spatial structure and conformational properties of myelopeptides, bone-marrow peptide mediators. The low-energy conformations of myelopeptides MP-4 (Phe-Arg-Pro-Arg-Ile-Met-Thr-Pro), MP-5 (Val-Val-Tyr-Pro-Asp), and MP-6 (Val-Asp-Pro-Pro) were found; the values of dihedral angles of backbone and side(More)
Theoretical conformational analysis was used to study the spatial structure and conformational properties of myelopeptides, bone-marrow peptide mediators. The low-energy conformations of three hexapeptides MP-1 (Phe-Leu-Gly-Phe-Pro-Thr), MP-2 (Leu-Val-Val-Tyr-Pro-Trp), and MP-3 (Leu-Val-Cys-Tyr-Pro-Gln) were found, the values of dihedral angles of the(More)
By means of semi-empirical method, an a priori conformational analysis of a cardioactive peptides was carried out. Calculations yielded the values of all dihedral angles of the backbone and side chains of the peptides various forms as well as intra- and interresidue interaction energies.
One of the basic problems for molecular physics is investigating of the spatial organization of the peptide molecules and their structure-functional organization. This work is devoted to study the spatial organization, conformational possibilities of the class of cardio active peptides for the first time. The calculations were carried out by the method of(More)
The spatial and electron structure of the heptapeptide molecule Gly-Glu-His-Phe-Pro-Gly-Pro were investigated using semiempirical methods. By theoretical conformational analysis method has been investigated the low-energy conformations, geometric and energetic parameters of this molecule. By quantum-chemical method of CNDO/2 has been determined sharing(More)
The spatial structure of two cardioactive isoleucine pentapeptides Glu-Phe-Leu-Arg-Ile-NH2 (I) and Pro-Phe-Tyr-Arg-Ile-NH2 (II) have been investigated using the theoretical conformational analysis. The low-energy conformations of these molecules were found, the values of dihedral angles of the backbone and side chains of the amino acid residues constituting(More)