Interakce bazi nukleovych kyselin a jejich vliv na strukturu a dynamiku DNK.

Nucleic acids (NA) belong to the most important biomolecules. The 3-D structure, dynamics and functions of NA are critically influenced by molecular interactions or aromatic NA bases. Recent developments of computer hardware and software allowed to apply reliable computational methods on studies of interactions of NA bases. Ab initio quantum-chemical calculations with inclusion of electron correlation effects were utilized to carry out a comprehensive analysis of all types of interactions of NA bases. The calculations revealed intrinsic nonplanarity of the amino groups of DNA bases allowing formation of novel interactions such as out-of-plane hydrogen bonds and amino acceptor interactions. Many such interactions were subsequently identified in DNA crystal structures. Ab initio calculations also revealed the physicochemical nature or aromatic stacking interactions of NA bases. Several older popular theories of stacking, such as ? - ? and induction model, were ultimately ruled out. Stabilization of base stacking originates in intermolecular electron correlation effects while mutual orientation of stacked DNA bases is determined by electrostatic interactions.Available from STL Prague, CZ / NTK - National Technical LibrarySIGLECZCzech Republi