176 related articles for article (PubMed ID: 27497161)
1. Path Sampling Methods for Enzymatic Quantum Particle Transfer Reactions.
Dzierlenga MW; Varga MJ; Schwartz SD
Methods Enzymol; 2016; 578():21-43. PubMed ID: 27497161
[TBL] [Abstract][Full Text] [Related]
2. Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling.
Dzierlenga MW; Antoniou D; Schwartz SD
J Phys Chem Lett; 2015 Apr; 6(7):1177-81. PubMed ID: 26262969
[TBL] [Abstract][Full Text] [Related]
3. Enzymatic Kinetic Isotope Effects from First-Principles Path Sampling Calculations.
Varga MJ; Schwartz SD
J Chem Theory Comput; 2016 Apr; 12(4):2047-54. PubMed ID: 26949835
[TBL] [Abstract][Full Text] [Related]
4. Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion.
Billeter SR; Webb SP; Agarwal PK; Iordanov T; Hammes-Schiffer S
J Am Chem Soc; 2001 Nov; 123(45):11262-72. PubMed ID: 11697969
[TBL] [Abstract][Full Text] [Related]
5. The importance of ensemble averaging in enzyme kinetics.
Masgrau L; Truhlar DG
Acc Chem Res; 2015 Feb; 48(2):431-8. PubMed ID: 25539028
[TBL] [Abstract][Full Text] [Related]
6. Environmentally coupled hydrogen tunneling. Linking catalysis to dynamics.
Knapp MJ; Klinman JP
Eur J Biochem; 2002 Jul; 269(13):3113-21. PubMed ID: 12084051
[TBL] [Abstract][Full Text] [Related]
7. A compelling experimental test of the hypothesis that enzymes have evolved to enhance quantum mechanical tunneling in hydrogen transfer reactions: the beta-neopentylcobalamin system combined with prior adocobalamin data.
Doll KM; Finke RG
Inorg Chem; 2003 Aug; 42(16):4849-56. PubMed ID: 12895106
[TBL] [Abstract][Full Text] [Related]
8. Nuclear quantum effects in enzymatic reactions: simulation of the kinetic isotope effect of phenylethylamine oxidation catalyzed by monoamine oxidase A.
Prah A; Ogrin P; Mavri J; Stare J
Phys Chem Chem Phys; 2020 Apr; 22(13):6838-6847. PubMed ID: 32191250
[TBL] [Abstract][Full Text] [Related]
9. A model reaction assesses contribution of H-tunneling and coupled motions to enzyme catalysis.
Liu Q; Zhao Y; Hammann B; Eilers J; Lu Y; Kohen A
J Org Chem; 2012 Aug; 77(16):6825-33. PubMed ID: 22834675
[TBL] [Abstract][Full Text] [Related]
10. Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.
Garcia-Viloca M; Truhlar DG; Gao J
Biochemistry; 2003 Nov; 42(46):13558-75. PubMed ID: 14622003
[TBL] [Abstract][Full Text] [Related]
11. Enzymatic Kinetic Isotope Effects from Path-Integral Free Energy Perturbation Theory.
Gao J
Methods Enzymol; 2016; 577():359-88. PubMed ID: 27498645
[TBL] [Abstract][Full Text] [Related]
12. Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes.
Gao J; Major DT; Fan Y; Lin YL; Ma S; Wong KY
Methods Mol Biol; 2008; 443():37-62. PubMed ID: 18446281
[TBL] [Abstract][Full Text] [Related]
13. Review of computer simulations of isotope effects on biochemical reactions: From the Bigeleisen equation to Feynman's path integral.
Wong KY; Xu Y; Xu L
Biochim Biophys Acta; 2015 Nov; 1854(11):1782-94. PubMed ID: 25936775
[TBL] [Abstract][Full Text] [Related]
14. Quantum dynamics of hydride transfer catalyzed by bimetallic electrophilic catalysis: synchronous motion of Mg(2+) and H(-) in xylose isomerase.
Garcia-Viloca M; Alhambra C; Truhlar DG; Gao J
J Am Chem Soc; 2002 Jun; 124(25):7268-9. PubMed ID: 12071725
[TBL] [Abstract][Full Text] [Related]
15. Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.
Kohen A; Jensen JH
J Am Chem Soc; 2002 Apr; 124(15):3858-64. PubMed ID: 11942822
[TBL] [Abstract][Full Text] [Related]
16. A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates.
Shiga M; Fujisaki H
J Chem Phys; 2012 May; 136(18):184103. PubMed ID: 22583273
[TBL] [Abstract][Full Text] [Related]
17. Nuclear quantum effects and kinetic isotope effects in enzyme reactions.
Vardi-Kilshtain A; Nitoker N; Major DT
Arch Biochem Biophys; 2015 Sep; 582():18-27. PubMed ID: 25769515
[TBL] [Abstract][Full Text] [Related]
18. Nuclear quantum effects on an enzyme-catalyzed reaction with reaction path potential: proton transfer in triosephosphate isomerase.
Wang M; Lu Z; Yang W
J Chem Phys; 2006 Mar; 124(12):124516. PubMed ID: 16599706
[TBL] [Abstract][Full Text] [Related]
19. A critical test of the "tunneling and coupled motion" concept in enzymatic alcohol oxidation.
Roston D; Kohen A
J Am Chem Soc; 2013 Sep; 135(37):13624-7. PubMed ID: 24020836
[TBL] [Abstract][Full Text] [Related]
20. Hybrid quantum/classical path integral approach for simulation of hydrogen transfer reactions in enzymes.
Wang Q; Hammes-Schiffer S
J Chem Phys; 2006 Nov; 125(18):184102. PubMed ID: 17115733
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]