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Preferred phosphodiester conformations in nucleic acids. A virtual bond torsion potential to estimate lone‐pair interactions in a phosphodiester
Author(s) -
Srinivasan A. R.,
Yathindra N.,
Rao V. S. R.,
Prakash S.
Publication year - 1980
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.1980.360190111
Subject(s) - phosphodiester bond , chemistry , lone pair , torsion (gastropod) , nucleic acid , crystallography , stereochemistry , computational chemistry , molecule , organic chemistry , biochemistry , rna , anatomy , medicine , gene
The lone‐pair orbital interactions arising in a phosphodiester are incorporated into semiempirical conformational energy calculations using a unifold “torsional potential” around the virtual bond linking the ester oxygen atoms. The results explain the observed experimental data better than other methods.