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Items: 1 to 20 of 59

1.
2.

Enzymatic catalysis and transfers in solution. I. Theory and computations, a unified view.

Marcus RA.

J Chem Phys. 2006 Nov 21;125(19):194504. Review.

PMID:
17129120
3.

Structural bases of hydrogen tunneling in enzymes: progress and puzzles.

Liang ZX, Klinman JP.

Curr Opin Struct Biol. 2004 Dec;14(6):648-55. Review.

PMID:
15582387
4.

Quantum-classical simulation methods for hydrogen transfer in enzymes: a case study of dihydrofolate reductase.

Hammes-Schiffer S.

Curr Opin Struct Biol. 2004 Apr;14(2):192-201. Review.

PMID:
15093834
5.

Hydrogen tunneling in quinoproteins.

Masgrau L, Basran J, Hothi P, Sutcliffe MJ, Scrutton NS.

Arch Biochem Biophys. 2004 Aug 1;428(1):41-51. Review.

PMID:
15234268
6.

The incorporation of quantum effects in enzyme kinetics modeling.

Truhlar DG, Gao J, Alhambra C, Garcia-Viloca M, Corchado J, Sánchez ML, Villà J.

Acc Chem Res. 2002 Jun;35(6):341-9. Review.

PMID:
12069618
7.

Hydrogen tunneling and protein motion in enzyme reactions.

Hammes-Schiffer S.

Acc Chem Res. 2006 Feb;39(2):93-100. Review.

PMID:
16489728
8.
9.

Environmentally coupled hydrogen tunneling. Linking catalysis to dynamics.

Knapp MJ, Klinman JP.

Eur J Biochem. 2002 Jul;269(13):3113-21. Review.

10.

Nuclear quantum effects and kinetic isotope effects in enzyme reactions.

Vardi-Kilshtain A, Nitoker N, Major DT.

Arch Biochem Biophys. 2015 Sep 15;582:18-27. doi: 10.1016/j.abb.2015.03.001. Epub 2015 Mar 10. Review.

PMID:
25769515
11.

Does the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H-transfer reactions?

Hoeven R, Heyes DJ, Hay S, Scrutton NS.

FEBS J. 2015 Aug;282(16):3243-55. doi: 10.1111/febs.13193. Epub 2015 Jan 29. Review.

12.

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. doi: 10.1016/j.bbapap.2015.04.021. Epub 2015 Apr 30. Review.

PMID:
25936775
13.

How enzymes work: analysis by modern rate theory and computer simulations.

Garcia-Viloca M, Gao J, Karplus M, Truhlar DG.

Science. 2004 Jan 9;303(5655):186-95. Review.

PMID:
14716003
14.

Importance of protein dynamics during enzymatic C-H bond cleavage catalysis.

Klinman JP.

Biochemistry. 2013 Mar 26;52(12):2068-77. doi: 10.1021/bi301504m. Epub 2013 Feb 12. Review.

15.

Quantum mechanical effects in enzyme-catalysed hydrogen transfer reactions.

Klinman JP.

Trends Biochem Sci. 1989 Sep;14(9):368-73. Review.

PMID:
2688201
16.

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions.

Tresadern G, Nunez S, Faulder PF, Wang H, Hillier IH, Burton NA.

Faraday Discuss. 2003;122:223-42; discussion 269-82. Review.

PMID:
12555860
17.

Theoretical calculations of heavy-atom isotope effects.

Paneth P.

Comput Chem. 1995 Mar;19(1):11-20. Review.

PMID:
7735700
18.
19.

Computer simulations of enzyme catalysis: methods, progress, and insights.

Warshel A.

Annu Rev Biophys Biomol Struct. 2003;32:425-43. Epub 2003 Feb 5. Review.

PMID:
12574064
20.

Hydrogen tunnelling in enzyme-catalysed H-transfer reactions: flavoprotein and quinoprotein systems.

Sutcliffe MJ, Masgrau L, Roujeinikova A, Johannissen LO, Hothi P, Basran J, Ranaghan KE, Mulholland AJ, Leys D, Scrutton NS.

Philos Trans R Soc Lond B Biol Sci. 2006 Aug 29;361(1472):1375-86. Review.

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