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Design of Radical-Resistant Amino Acid Residues: A Combined Theoretical and Experimental Investigation

Date

Authors

Croft, Anna

Easton, Christopher

Radom, Leo

Publisher

American Chemical Society

Abstract

Ab initio calculations have been used to design radical -resistant amino acid residues. Optimized structures of free and protected amino acids and their corresponding β-carbon-centered radicals were determined with B3-LYP/6-31G(d). Single-point RMP2/6-31

Keywords

Keywords: Amino acid residues; Carboxylic acids; Free radicals; Hydrogen; Molecular dynamics; Optimization; Amino acids; radical; ab initio calculation; alkylation; amino acid analysis; article; bromination; catalysis; chirality; derivatization; nerve degeneration;

URI

http://hdl.handle.net/1885/88366

Collections

ANU Research Publications

Source

Journal of the American Chemical Society

Type

Journal article

DOI

10.1021/ja029674v