214 related articles for article (PubMed ID: 17117884)
1. On the mechanism of hydrolysis of phosphate monoesters dianions in solutions and proteins.
Klähn M; Rosta E; Warshel A
J Am Chem Soc; 2006 Nov; 128(47):15310-23. PubMed ID: 17117884
[TBL] [Abstract][Full Text] [Related]
2. Theoretical evaluation of the substrate-assisted catalysis mechanism for the hydrolysis of phosphate monoester dianions.
Iché-Tarrat N; Ruiz-Lopez M; Barthelat JC; Vigroux A
Chemistry; 2007; 13(13):3617-29. PubMed ID: 17290469
[TBL] [Abstract][Full Text] [Related]
3. Towards accurate ab initio QM/MM calculations of free-energy profiles of enzymatic reactions.
Rosta E; Klähn M; Warshel A
J Phys Chem B; 2006 Feb; 110(6):2934-41. PubMed ID: 16471904
[TBL] [Abstract][Full Text] [Related]
4. Transition state analogues for nucleotidyl transfer reactions: Structure and stability of pentavalent vanadate and phosphate ester dianions.
Borden J; Crans DC; Florián J
J Phys Chem B; 2006 Aug; 110(30):14988-99. PubMed ID: 16869614
[TBL] [Abstract][Full Text] [Related]
5. Quantifying free energy profiles of proton transfer reactions in solution and proteins by using a diabatic FDFT mapping.
Xiang Y; Warshel A
J Phys Chem B; 2008 Jan; 112(3):1007-15. PubMed ID: 18166038
[TBL] [Abstract][Full Text] [Related]
6. Mechanistic analysis of the observed linear free energy relationships in p21ras and related systems.
Schweins T; Warshel A
Biochemistry; 1996 Nov; 35(45):14232-43. PubMed ID: 8916908
[TBL] [Abstract][Full Text] [Related]
7. Theoretical studies on the hydrolysis of mono-phosphate and tri-phosphate in gas phase and aqueous solution.
Wang YN; Topol IA; Collins JR; Burt SK
J Am Chem Soc; 2003 Oct; 125(43):13265-73. PubMed ID: 14570503
[TBL] [Abstract][Full Text] [Related]
8. Thiolysis and alcoholysis of phosphate tri- and monoesters with alkyl and aryl leaving groups. An ab initio study in the gas phase.
Arantes GM; Chaimovich H
J Phys Chem A; 2005 Jun; 109(25):5625-35. PubMed ID: 16833895
[TBL] [Abstract][Full Text] [Related]
9. Alkali metals (Li, Na, and K) in methyl phosphodiester hydrolysis.
Pinjari RV; Kaptan SS; Gejji SP
Phys Chem Chem Phys; 2009 Jul; 11(26):5253-62. PubMed ID: 19551192
[TBL] [Abstract][Full Text] [Related]
10. The effect of leaving group on mechanistic preference in phosphate monoester hydrolysis.
Kamerlin SC; Wilkie J
Org Biomol Chem; 2011 Aug; 9(15):5394-406. PubMed ID: 21655563
[TBL] [Abstract][Full Text] [Related]
11. Theoretical studies of the hydroxide-catalyzed P-O cleavage reactions of neutral phosphate triesters and diesters in aqueous solution: examination of the changes induced by H/Me substitution.
Iché-Tarrat N; Barthelat JC; Rinaldi D; Vigroux A
J Phys Chem B; 2005 Dec; 109(47):22570-80. PubMed ID: 16853939
[TBL] [Abstract][Full Text] [Related]
12. On the interpretation of the observed linear free energy relationship in phosphate hydrolysis: a thorough computational study of phosphate diester hydrolysis in solution.
Rosta E; Kamerlin SC; Warshel A
Biochemistry; 2008 Mar; 47(12):3725-35. PubMed ID: 18307312
[TBL] [Abstract][Full Text] [Related]
13. Theoretical study of phosphodiester hydrolysis in nucleotide pyrophosphatase/phosphodiesterase. Environmental effects on the reaction mechanism.
López-Canut V; Roca M; Bertrán J; Moliner V; Tuñón I
J Am Chem Soc; 2010 May; 132(20):6955-63. PubMed ID: 20429564
[TBL] [Abstract][Full Text] [Related]
14. Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces.
Plotnikov NV; Prasad BR; Chakrabarty S; Chu ZT; Warshel A
J Phys Chem B; 2013 Oct; 117(42):12807-19. PubMed ID: 23601038
[TBL] [Abstract][Full Text] [Related]
15. Theoretical study of the phosphotriesterase reaction mechanism.
Chen SL; Fang WH; Himo F
J Phys Chem B; 2007 Feb; 111(6):1253-5. PubMed ID: 17253743
[TBL] [Abstract][Full Text] [Related]
16. Theoretical comparison of p-nitrophenyl phosphate and sulfate hydrolysis in aqueous solution: implications for enzyme-catalyzed sulfuryl transfer.
Kamerlin SC
J Org Chem; 2011 Nov; 76(22):9228-38. PubMed ID: 21981415
[TBL] [Abstract][Full Text] [Related]
17. QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.
Grigorenko BL; Nemukhin AV; Topol IA; Cachau RE; Burt SK
Proteins; 2005 Aug; 60(3):495-503. PubMed ID: 15906320
[TBL] [Abstract][Full Text] [Related]
18. Ab initio study of the SN1Ar and SN2Ar reactions of benzenediazonium ion with water. On the conception of "unimolecular dediazoniation" in solvolysis reactions.
Wu Z; Glaser R
J Am Chem Soc; 2004 Sep; 126(34):10632-9. PubMed ID: 15327321
[TBL] [Abstract][Full Text] [Related]
19. The low barrier hydrogen bond (LBHB) proposal revisited: the case of the Asp... His pair in serine proteases.
Schutz CN; Warshel A
Proteins; 2004 May; 55(3):711-23. PubMed ID: 15103633
[TBL] [Abstract][Full Text] [Related]
20. Phosphoryl transfer in Ras proteins, conclusive or elusive?
Wittinghofer A
Trends Biochem Sci; 2006 Jan; 31(1):20-3. PubMed ID: 16356724
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
