Computer modeling of the spatial structure of analogues of myelopeptides

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. The calculations were carried out by the method of theoretical conformational analysis and a special computer program. Basing the calculation results the simulated analogues of each peptide molecule are constructed, the conformational mobility of the amino acid side chains are investigated and the amino acids with specific interplays with different receptors are founded.