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Journals and Conferences
The spatial structure of the neurokinin A molecule was studied by the method of theoretical conformational analysis. On the basis of fragmental analysis, stable structures of the neurokinin A molecule under polar conditions were determined. The structures can be described by four families of low-energy conformations having a relatively labile tripeptide at… (More)
The spatial structure of cardioactive Thr-Pro-Ala-Glu-Asp-Phe-Met-Arg-Phe-NH2 molecule has been investigated using a theoretical conformational analysis. The low-energy conformations of the molecule were found, the values of the backbone and side T-T chain dihedral angles of amino acid residues constituting the peptide were determined, and the energies of… (More)
Conformational energy calculations were carried out for beta-endorphin. Its spatial structure can be described by nine low-energy conformations. The calculations yielded the values of all dihedral angles of the backbone and side chains of these forms as well as intra- and inter-residue interaction energies.
Theoretical small-angle diffuse scattering curves from muscle thin filament models have been calculated. The curves reveal a maximum at 115' scattering angle. It has been shown that the maximum is due to the pitch of F-actin helix. Theoretical curves are in good agreement with the earlier obtained curves of small-angle diffuse scattering from F-actin dilute… (More)
The conformational aspects of interaction of the antibiotic X537A at complexation with serotonin, hydration of molecules and their complex were studied by the methods of theoretical conformational analysis and Monte-Carlo.
The spatial and electronic structures of kiotorphin and its biologically active analogue [D-Arg2]-kiotorphin were studied. It was shown that [D-Arg2]-kiotorphin has a more rigid structure compared with the native molecule. The D-izomerization of arginine restricts the conformational mobility of the main chain of the molecule, which completely rules out its… (More)
Conformational energy calculations were carried out for neuropeptides alpha-, gamma- and delta-endorphins, which are 1-16, 1-17 and 1-19 fragments respectively, of beta-endorphin. The proposed computational scheme yielded all possible low-energy conformational sets for these hormones. Specific features of spatial organization of each compound and… (More)
The spatial structures of human immunoglobulin E pentapeptide Asp-Ser-Asp-Pro-Arg and some of its related peptides were investigated by the method of theoretical conformational analysis. These synthetic peptides have the capacity to inhibit the binding of immunoglobulin E to the mast cells of the skin. The results of the calculations and the data on… (More)