Galetych I. Investigation of the thermodynamic parameters (characteristics) of the components of protein-nucleic acid complexes

The objects of study: complexes between the acrylamide and methylderivatives of nitrogen bases as a models of molecular recognition process on monomer level. The work is aimed at the determination of the structural and thermodynamic characteristics of interactions between nucleic acid bases and amino acids in vacuum, the search of molecular specificity of these interactions and determination of the most favourable configurations of the model complexes on monomer level. Methods: temperature-dependent field ionization mass spetrometry and non-empirical calculations. Results, novelty: relative association constants and enthalpies of associates formation are obtained from mass spectrometric experiments. The stability row for the complexes under study was constructed. Equilibrium structures of the complexes and interaction energies were determined Configurations of the most favourable complexes corresponding to interaction energy minima were constructed. The fields of application are molecular biophysics, molecular physics.