[Computer analysis of the spatial structure of the amphotericin channel].

Energy of Amphotericin B cholesterol complex in a membrane was calculated by the method of atom--atomic potentials. The complex is shown to have two stable states. One of them is stabilized by electrostatic interactions between charged groups of neighbouring antibiotic molecules due to a decline of the molecules to the pore radius.

[Calculation of the structure of the serotonin-antibiotic lasalocid A complex by conformation analysis and the Monte Carlo method].

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.

[Contribution of individual structural components to stabilization of the secondary structure of double-helical polynucleotides].

Contributions of individual structural components of the double-helical polynucleotide to the stabilization of its secondary structure have been studied. The energy of intramolecular interactions was calculated by the method of atom-atom potentials. Sections of the energy function were constructed according to the parameters determining mutual location of base pairs with the optimal conformation of ribose-phosphate backbone in the points close to A- and B-forms of DNA.

[Theoretical conformational analysis of doulble-stranded polynucleotides].

Calculations of intramolecular interaction energy of two-stranded helical homopolynucleotide in the function of nine conformational variables have been carried out by the method of atom-atom potential functions. Four of these variables determine mutual position of base pairs, other four--deoxiribose ring conformation and other one--orientation of this ring with respect to the base. For this purpose an algorythm connecting dependent variables with independent ones has been developed.