[Electronic-conformational interactions of molecular-biological systems. II. Study of the enzyme-substrate complex...

The electronic-conformational interactions (ECI) of enzyme-substrate complexes are treated with the help of the method of intermolecular orbitals. The applicability of this approach is shown concerning some problems, related to ECI. The activation of N2 in the active site of nitrogenase, the proton transfer in the system, containing hydrogen bonds, and the modelling of the initial state of the reaction of lysozyme with oligosaccharides were examined.