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Guanine and adenine‐amino acids interactions: An ab initio study
Author(s) -
Sapse A. M.,
Jain Duli C.
Publication year - 1986
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.560290104
Subject(s) - formamide , chemistry , ab initio , guanine , basis set , ab initio quantum chemistry methods , binding energy , ion , ammonium , methanol , molecule , computational chemistry , organic chemistry , biochemistry , nucleotide , physics , nuclear physics , gene
Abstract Ab initio calculations using an STO‐3G Gaussian basis set are performed in order to obtain the binding energy to the 06 and N7 of guanine of such amino acid models as the guanidinium ion for arginine, the ammonium ion for lysine, the methanol for serine, and the formamide for glutamic acid. The binding of formamide to adenine is also investigated. The charged ions exhibit a much higher binding energy to the bases, as expected, than the uncharged molecules. The order of binding strength is NH + 4> guanidinium+ > formamide > methanol, and for formamide, guanine > adenine.