117 related articles for article (PubMed ID: 23679067)
1. Role of solvent on nonenzymatic peptide bond formation mechanisms and kinetic isotope effects.
Świderek K; Tuñón I; Martí S; Moliner V; Bertrán J
J Am Chem Soc; 2013 Jun; 135(23):8708-19. PubMed ID: 23679067
[TBL] [Abstract][Full Text] [Related]
2. Ab initio QM/MM free energy simulations of peptide bond formation in the ribosome support an eight-membered ring reaction mechanism.
Xu J; Zhang JZ; Xiang Y
J Am Chem Soc; 2012 Oct; 134(39):16424-9. PubMed ID: 22953775
[TBL] [Abstract][Full Text] [Related]
3. A mechanistic study supports a two-step mechanism for peptide bond formation on the ribosome.
Byun BJ; Kang YK
Phys Chem Chem Phys; 2013 Sep; 15(36):14931-5. PubMed ID: 23900690
[TBL] [Abstract][Full Text] [Related]
4. Hybrid QM/MM study of thio effects in transphosphorylation reactions: the role of solvation.
Gregersen BA; Lopez X; York DM
J Am Chem Soc; 2004 Jun; 126(24):7504-13. PubMed ID: 15198597
[TBL] [Abstract][Full Text] [Related]
5. Quantum mechanical study on the mechanism of peptide release in the ribosome.
Acosta-Silva C; Bertran J; Branchadell V; Oliva A
J Phys Chem B; 2013 Apr; 117(13):3503-15. PubMed ID: 23442058
[TBL] [Abstract][Full Text] [Related]
6. Quantum-mechanical study on the mechanism of peptide bond formation in the ribosome.
Acosta-Silva C; Bertran J; Branchadell V; Oliva A
J Am Chem Soc; 2012 Apr; 134(13):5817-31. PubMed ID: 22376156
[TBL] [Abstract][Full Text] [Related]
7. The aminolysis of N-aroyl beta-lactams occurs by a concerted mechanism.
Tsang WY; Ahmed N; Page MI
Org Biomol Chem; 2007 Feb; 5(3):485-93. PubMed ID: 17252131
[TBL] [Abstract][Full Text] [Related]
8. Peptide hydrolysis catalyzed by matrix metalloproteinase 2: a computational study.
Díaz N; Suárez D
J Phys Chem B; 2008 Jul; 112(28):8412-24. PubMed ID: 18570467
[TBL] [Abstract][Full Text] [Related]
9. Computational study on hydrolysis of cefotaxime in gas phase and in aqueous solution.
Meliá C; Ferrer S; Moliner V; Tuñón I; Bertrán J
J Comput Chem; 2012 Sep; 33(24):1948-59. PubMed ID: 22674452
[TBL] [Abstract][Full Text] [Related]
10. Peptide Bond Formation Mechanism Catalyzed by Ribosome.
Świderek K; Marti S; Tuñón I; Moliner V; Bertran J
J Am Chem Soc; 2015 Sep; 137(37):12024-34. PubMed ID: 26325003
[TBL] [Abstract][Full Text] [Related]
11. Performance assessment of semiempirical molecular orbital methods in describing halogen bonding: quantum mechanical and quantum mechanical/molecular mechanical-molecular dynamics study.
Ibrahim MA
J Chem Inf Model; 2011 Oct; 51(10):2549-59. PubMed ID: 21942911
[TBL] [Abstract][Full Text] [Related]
12. Reaction mechanism of monoethanolamine with CO₂ in aqueous solution from molecular modeling.
Xie HB; Zhou Y; Zhang Y; Johnson JK
J Phys Chem A; 2010 Nov; 114(43):11844-52. PubMed ID: 20939618
[TBL] [Abstract][Full Text] [Related]
13. Novel pathways for oxygen insertion into unactivated C-H bonds by dioxiranes. Transition structures for stepwise routes via radical pairs and comparison with the concerted pathway.
Freccero M; Gandolfi R; Sarzi-Amadè M; Rastelli A
J Org Chem; 2003 Feb; 68(3):811-23. PubMed ID: 12558403
[TBL] [Abstract][Full Text] [Related]
14. Hydration shell structure and dynamics of curium(III) in aqueous solution: first principles and empirical studies.
Atta-Fynn R; Bylaska EJ; Schenter GK; de Jong WA
J Phys Chem A; 2011 May; 115(18):4665-77. PubMed ID: 21500828
[TBL] [Abstract][Full Text] [Related]
15. Kinetic and binding effects in peptide substrate selectivity of matrix metalloproteinase-2: Molecular dynamics and QM/MM calculations.
Díaz N; Suárez D; Suárez E
Proteins; 2010 Jan; 78(1):1-11. PubMed ID: 19585658
[TBL] [Abstract][Full Text] [Related]
16. Dynamic and Electrostatic Effects on the Reaction Catalyzed by HIV-1 Protease.
Krzemińska A; Moliner V; Świderek K
J Am Chem Soc; 2016 Dec; 138(50):16283-16298. PubMed ID: 27935692
[TBL] [Abstract][Full Text] [Related]
17. The mechanism of formamide hydrolysis in water from ab initio calculations and simulations.
Gorb L; Asensio A; Tuñón I; Ruiz-López MF
Chemistry; 2005 Nov; 11(22):6743-53. PubMed ID: 16130156
[TBL] [Abstract][Full Text] [Related]
18. Mechanism of acid-catalyzed hydrolysis of formamide from cluster-continuum model calculations: concerted versus stepwise pathway.
Wang B; Cao Z
J Phys Chem A; 2010 Dec; 114(49):12918-27. PubMed ID: 21082851
[TBL] [Abstract][Full Text] [Related]
19. Smooth solvation method for d-orbital semiempirical calculations of biological reactions. 2. Application to transphosphorylation thio effects in solution.
Gregersen BA; Khandogin J; Thiel W; York DM
J Phys Chem B; 2005 May; 109(19):9810-7. PubMed ID: 16852181
[TBL] [Abstract][Full Text] [Related]
20. Dinuclear Zn(II) complex catalyzed phosphodiester cleavage proceeds via a concerted mechanism: a density functional theory study.
Gao H; Ke Z; DeYonker NJ; Wang J; Xu H; Mao ZW; Phillips DL; Zhao C
J Am Chem Soc; 2011 Mar; 133(9):2904-15. PubMed ID: 21319769
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]