화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.115, No.41, 11269-11276, 2011
Effective Fragment Potential Study of the Interaction of DNA Bases
Hydrogen-bonded and stacked structures of adenine-thytnine and guanine cytosine nucleotide base pairs, along with their methylated analogues, are examined with the ab inito based general effective fragment potential (EFP2) method. A comparison of coupled cluster with single, double, and perturbative triple (CCSD(T)) energies is presented, along with an EFP2 energy decomposition to illustrate the components of the interaction energy.