Hydrogen bonding, stacking and cation binding of DNA bases
2001; Elsevier BV; Volume: 573; Issue: 1-3 Linguagem: Inglês
10.1016/s0166-1280(01)00537-1
ISSN1872-7999
AutoresJiřı́ Šponer, Jerzy Leszczyński, Pavel Hobza,
Tópico(s)Advanced Chemical Physics Studies
ResumoAb initio quantum chemical calculations with inclusion of electron correlation effects significantly contributed to our understanding of molecular interactions of DNA bases. Some of the most important findings are introduced in the present overview: nonplanarity of nucleobases, out-of-plane hydrogen bonds and amino acceptor interactions, structures and energies of hydrogen bonded base pairs, nature of base stacking, and interactions between metal cations and nucleobases. Also, accuracy of density functional theory, semi-empirical methods, distributed multipole analysis and empirical potentials is briefly commented on.
Referência(s)