α-Hydrogen Abstraction by •OH and •SH Radicals from Amino Acids and Their Peptide Derivatives
We have used computational quantum chemistry to investigate the thermochemistry of α-hydrogen abstraction from the full set of amino acids normally found in proteins, as well as their peptide forms, by •OH and •SH radicals. These reactions, with their reasonable complexity in the electronic structure (at the α-carbon), are chosen as a consistent set of models for conducting a fairly robust assessment of theoretical procedures. Our benchmarking investigation shows that, in general, the...[Show more]
|Collections||ANU Research Publications|
|Source:||Journal of chemical theory and computation|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.