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Items: 1 to 20 of 566

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Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

Knapp MJ, Rickert K, Klinman JP.

J Am Chem Soc. 2002 Apr 17;124(15):3865-74.

PMID:
11942823
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Simulating large nuclear quantum mechanical corrections in hydrogen atom transfer reactions in metalloenzymes.

Olsson MH, Siegbahn PE, Warshel A.

J Biol Inorg Chem. 2004 Jan;9(1):96-9. Epub 2003 Dec 9.

PMID:
14663649
6.

Proton-coupled electron transfer in soybean lipoxygenase.

Hatcher E, Soudackov AV, Hammes-Schiffer S.

J Am Chem Soc. 2004 May 12;126(18):5763-75.

PMID:
15125669
7.

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 14;123(45):11262-72.

PMID:
11697969
8.

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 16;110(6):2934-41.

PMID:
16471904
9.

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. doi: 10.1007/978-1-59745-177-2_3.

PMID:
18446281
10.

Origin of the temperature dependence of isotope effects in enzymatic reactions: the case of dihydrofolate reductase.

Liu H, Warshel A.

J Phys Chem B. 2007 Jul 12;111(27):7852-61. Epub 2007 Jun 16.

PMID:
17571875
11.

Proton-coupled electron transfer in soybean lipoxygenase: dynamical behavior and temperature dependence of kinetic isotope effects.

Hatcher E, Soudackov AV, Hammes-Schiffer S.

J Am Chem Soc. 2007 Jan 10;129(1):187-96.

PMID:
17199298
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Boundary conditions for the Swain-Schaad relationship as a criterion for hydrogen tunneling.

Kohen A, Jensen JH.

J Am Chem Soc. 2002 Apr 17;124(15):3858-64.

PMID:
11942822
15.

Reaction-path energetics and kinetics of the hydride transfer reaction catalyzed by dihydrofolate reductase.

Garcia-Viloca M, Truhlar DG, Gao J.

Biochemistry. 2003 Nov 25;42(46):13558-75.

PMID:
14622003
16.

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 24;112(3):1007-15. doi: 10.1021/jp076931f. Epub 2008 Jan 1.

PMID:
18166038
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Enzyme dynamics and tunneling enhanced by compression in the hydrogen abstraction catalyzed by soybean lipoxygenase-1.

Tejero I, Garcia-Viloca M, Gonzalez-Lafont A, Lluch JM, York DM.

J Phys Chem B. 2006 Dec 7;110(48):24708-19.

PMID:
17134234
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