Conformation-dependent •oH/H2O2 hydrogen abstraction reaction cycles of Gly and Ala residues: A comparative theoretical study

Journal of Physical Chemistry B

Volumn 116, Issue 3, 2012, Pages 1143-1154

  Owen, Michael C ^a,b,c,d   Szóri, Milán ^b,d   Csizmadia, Imre G ^a,b,c,d   Viskolcz, Bela ^b,d  

^a UNIVERSITY OF TORONTO   (Canada)

^b UNIVERSITY OF SZEGED   (Hungary)

^c Global Institute of Computational Molecular and Materials Science   (Canada)

^d Drug Discovery Research Center   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

ABSTRACTING; AMIDES; AMINO ACIDS; COMPUTATIONAL LINGUISTICS; FREE RADICALS; HYDROGEN; PEPTIDES; QUANTUM CHEMISTRY; QUANTUM COMPUTERS; STEREOCHEMISTRY;

ALZHEIMER; AMINO ACID RESIDUES; AMYLOIDOGENIC PEPTIDES; BASIS SETS; CHIRAL AMINO ACIDS; ELEMENTARY REACTION; FIRST-PRINCIPLES; FUNCTIONALS; H-ABSTRACTION; HYDROGEN ABSTRACTION REACTION; HYDROGEN ATOMS; MINIMAL ENERGY; MISFOLDING; OH RADICAL; OH REACTION; SIDE-CHAINS; THEORETICAL STUDY; TRANSITION STATE;

CONFORMATIONS;

ALANINE; GLYCINE; HYDROGEN; HYDROGEN PEROXIDE; OXIDIZING AGENT;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; THEORETICAL MODEL;

ALANINE; GLYCINE; HYDROGEN; HYDROGEN PEROXIDE; MODELS, MOLECULAR; MODELS, THEORETICAL; MOLECULAR CONFORMATION; OXIDANTS;

EID: 84856386238     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2089559     Document Type: Article

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