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Nucleoside free energy perturbation calculations: Mutation of purine‐to‐pyrimidine and pyrimidine‐to‐purine nucleosides
Author(s) -
Wunz Timothy P.
Publication year - 1992
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540130517
Subject(s) - pyrimidine , purine , purine metabolism , nucleoside , chemistry , dna , purine analogue , pyrimidine analogue , nucleoside analogue , stereochemistry , biochemistry , enzyme
Abstract Free energy perturbation calculations were conducted on the mutations of pyrimidine‐to‐pyrimidine, purine‐to‐purine, purine‐to‐pyrimidine, and pyrimidine‐to‐purine nucleosides. The parameters and technique required for these perturbations is presented. Each of the four nucleosides in DNA were mutated into the other three nucleosides, and the calculated change in free energy for each of the 12 mutations is reported.