Premium
Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom–atom potential functions
Author(s) -
Poltev V. I.
Publication year - 1979
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560160419
Subject(s) - nucleic acid , intramolecular force , intermolecular force , chemistry , atom (system on chip) , computational chemistry , interaction energy , chemical physics , stereochemistry , molecule , organic chemistry , biochemistry , computer science , embedded system
Atom–atom potential functions for calculation of nonbonded interaction energies of nucleic acids are proposed. Quantitative reliability of the obtained results is checked by using the calculations of intermolecular interaction energy in crystals. Based on the calculations of the interaction energy of the nucleic acid bases the molecular mechanisms of spontaneous mutations are suggested.