131 related articles for article (PubMed ID: 21898467)
1. Site specificity of OH α-H abstraction reaction for a β-hairpin peptide: an ab initio study.
Lin RJ; Jang S; Wu CC; Liu YL; Li FY
J Comput Chem; 2011 Dec; 32(16):3409-22. PubMed ID: 21898467
[TBL] [Abstract][Full Text] [Related]
2. Site specificity on OH α-H abstraction reaction for a zwitterionic β-hairpin peptide in aqueous solution: a theoretical investigation.
Lin RJ; Jang S; Kim H; Wu CC; Li FY
J Phys Chem B; 2013 Jan; 117(3):771-83. PubMed ID: 23252826
[TBL] [Abstract][Full Text] [Related]
3. Site specificity of the (alpha)C--H bond dissociation energy for a naturally occurring beta-hairpin peptide-An ab initio study.
Cheng WC; Jang S; Wu CC; Lin RJ; Lu HF; Li FY
J Comput Chem; 2009 Feb; 30(3):407-14. PubMed ID: 18629808
[TBL] [Abstract][Full Text] [Related]
4. A surprisingly complex aqueous chemistry of the simplest amino acid. A pulse radiolysis and theoretical study on H/D kinetic isotope effects in the reaction of glycine anions with hydroxyl radicals.
Stefanić I; Ljubić I; Bonifacić M; Sabljić A; Asmus KD; Armstrong DA
Phys Chem Chem Phys; 2009 Apr; 11(13):2256-67. PubMed ID: 19305899
[TBL] [Abstract][Full Text] [Related]
5. Hydrogen abstraction from n-butanol by the hydroxyl radical: high level ab initio study of the relative significance of various abstraction channels and the role of weakly bound intermediates.
Moc J; Simmie JM
J Phys Chem A; 2010 May; 114(17):5558-64. PubMed ID: 20380410
[TBL] [Abstract][Full Text] [Related]
6. Site specificity of alpha-H abstraction reaction among secondary structure motif--an ab initio study.
Lu HF; Li FY; Lin SH
J Comput Chem; 2007 Mar; 28(4):783-94. PubMed ID: 17226837
[TBL] [Abstract][Full Text] [Related]
7. Primary steps in the reaction of OH radicals with peptide systems: perspective from a study of model amides.
Doan HQ; Davis AC; Francisco JS
J Phys Chem A; 2010 Apr; 114(16):5342-57. PubMed ID: 20369811
[TBL] [Abstract][Full Text] [Related]
8. Conformation-dependent ˙OH/H2O2 hydrogen abstraction reaction cycles of Gly and Ala residues: a comparative theoretical study.
Owen MC; Szori M; Csizmadia IG; Viskolcz B
J Phys Chem B; 2012 Jan; 116(3):1143-54. PubMed ID: 22168541
[TBL] [Abstract][Full Text] [Related]
9. Abstraction kinetics of H-atom by OH radical from pinonaldehyde (C10H16O2): ab initio and transition-state theory calculations.
Dash MR; Rajakumar B
J Phys Chem A; 2012 Jun; 116(24):5856-66. PubMed ID: 22356198
[TBL] [Abstract][Full Text] [Related]
10. Reaction of hydroxyl radicals with azacytosines: a pulse radiolysis and theoretical study.
Pramod G; Prasanthkumar KP; Mohan H; Manoj VM; Manoj P; Suresh CH; Aravindakumar CT
J Phys Chem A; 2006 Oct; 110(40):11517-26. PubMed ID: 17020265
[TBL] [Abstract][Full Text] [Related]
11. On the kinetic mechanism of the hydrogen abstraction reactions of the hydroxyl radical with CH3CF2Cl and CH3CFCl2: a dual level direct dynamics study.
Ji YM; Cao F; Gao H; Li X; Zhao C; Su C; Liu JY; Li ZS
J Comput Chem; 2010 Feb; 31(3):510-9. PubMed ID: 19530110
[TBL] [Abstract][Full Text] [Related]
12. Ab initio and kinetic study of the reaction of ketones with OH for T = 500-2000 K. Part I: hydrogen-abstraction from H3CC(O)CH(3-x)(CH3)x, x = 0 ↦ 2.
Zhou CW; Simmie JM; Curran HJ
Phys Chem Chem Phys; 2011 Jun; 13(23):11175-92. PubMed ID: 21573299
[TBL] [Abstract][Full Text] [Related]
13. A model for prediction of product distributions for the reactions of phenol derivatives with hydroxyl radicals.
Kiliç M; Koçtürk G; San N; Cinar Z
Chemosphere; 2007 Nov; 69(9):1396-408. PubMed ID: 17574647
[TBL] [Abstract][Full Text] [Related]
14. Analysis of the reactivities of protein C-H bonds to H atom abstraction by OH radical.
Scheiner S; Kar T
J Am Chem Soc; 2010 Nov; 132(46):16450-9. PubMed ID: 21047072
[TBL] [Abstract][Full Text] [Related]
15. Structural and thermodynamics characters of isolated α-syn12 peptide: long-time temperature replica-exchange molecular dynamics in aqueous solution.
Cao Z; Liu L; Wu P; Wang J
Acta Biochim Biophys Sin (Shanghai); 2011 Mar; 43(3):172-80. PubMed ID: 21289072
[TBL] [Abstract][Full Text] [Related]
16. Kinetics and mechanism of the beta-alanine + OH gas phase reaction: a quantum mechanical approach.
Cruz-Torres A; Galano A; Alvarez-Idaboy JR
Phys Chem Chem Phys; 2006 Jan; 8(2):285-92. PubMed ID: 16482271
[TBL] [Abstract][Full Text] [Related]
17. Hydroxyl radical initiated oxidation of s-triazine: hydrogen abstraction is faster than hydroxyl addition.
da Silva G; Bozzelli JW; Asatryan R
J Phys Chem A; 2009 Jul; 113(30):8596-606. PubMed ID: 19572687
[TBL] [Abstract][Full Text] [Related]
18. Mechanism of cysteine oxidation by a hydroxyl radical: a theoretical study.
Enescu M; Cardey B
Chemphyschem; 2006 Apr; 7(4):912-9. PubMed ID: 16518867
[TBL] [Abstract][Full Text] [Related]
19. Elucidation of the mechanistic pathways of the hydroxyl radical scavenging reaction by daidzein using hybrid QM/MM dynamics.
Chakraborty S; Biswas PK
J Phys Chem A; 2012 Aug; 116(34):8775-85. PubMed ID: 22853918
[TBL] [Abstract][Full Text] [Related]
20. Building the first hydration shell of deprotonated glycine by the MCMM and ab initio methods.
Yao Y; Chen D; Zhang S; Li Y; Tu P; Liu B; Dong M
J Phys Chem B; 2011 May; 115(19):6213-21. PubMed ID: 21510688
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
