Hammes-Schiffer S - Search Results

1

Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides.

Ulloa OA, Huynh MT, Richers CP, Bertke JA, Nilges MJ, Hammes-Schiffer S, Rauchfuss TB. Ulloa OA, et al. J Am Chem Soc. 2016 Jul 27;138(29):9234-45. doi: 10.1021/jacs.6b04579. Epub 2016 Jul 18. J Am Chem Soc. 2016. PMID: 27328053 Free PMC article.

2

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. Billeter SR, et al. J Am Chem Soc. 2001 Nov 14;123(45):11262-72. doi: 10.1021/ja011384b. J Am Chem Soc. 2001. PMID: 11697969

3

Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II.

Carra C, Iordanova N, Hammes-Schiffer S. Carra C, et al. J Am Chem Soc. 2003 Aug 27;125(34):10429-36. doi: 10.1021/ja035588z. J Am Chem Soc. 2003. PMID: 12926968

4

Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: implications for proton-coupled electron transfer mechanisms.

Skone JH, Soudackov AV, Hammes-Schiffer S. Skone JH, et al. J Am Chem Soc. 2006 Dec 27;128(51):16655-63. doi: 10.1021/ja0656548. J Am Chem Soc. 2006. PMID: 17177415

5

Buffer-assisted proton-coupled electron transfer in a model rhenium-tyrosine complex.

Ishikita H, Soudackov AV, Hammes-Schiffer S. Ishikita H, et al. J Am Chem Soc. 2007 Sep 12;129(36):11146-52. doi: 10.1021/ja072708k. Epub 2007 Aug 18. J Am Chem Soc. 2007. PMID: 17705482

6

Impact of mutation on proton transfer reactions in ketosteroid isomerase: insights from molecular dynamics simulations.

Chakravorty DK, Hammes-Schiffer S. Chakravorty DK, et al. J Am Chem Soc. 2010 Jun 2;132(21):7549-55. doi: 10.1021/ja102714u. J Am Chem Soc. 2010. PMID: 20450180 Free PMC article.

7

Theoretical analysis of proton relays in electrochemical proton-coupled electron transfer.

Auer B, Fernandez LE, Hammes-Schiffer S. Auer B, et al. J Am Chem Soc. 2011 Jun 1;133(21):8282-92. doi: 10.1021/ja201560v. Epub 2011 May 11. J Am Chem Soc. 2011. PMID: 21524104

8

Computational study of anomalous reduction potentials for hydrogen evolution catalyzed by cobalt dithiolene complexes.

Solis BH, Hammes-Schiffer S. Solis BH, et al. J Am Chem Soc. 2012 Sep 19;134(37):15253-6. doi: 10.1021/ja306857q. Epub 2012 Sep 10. J Am Chem Soc. 2012. PMID: 22954257

9

Calculation of vibrational shifts of nitrile probes in the active site of ketosteroid isomerase upon ligand binding.

Layfield JP, Hammes-Schiffer S. Layfield JP, et al. J Am Chem Soc. 2013 Jan 16;135(2):717-25. doi: 10.1021/ja3084384. Epub 2012 Dec 31. J Am Chem Soc. 2013. PMID: 23210919 Free PMC article.

10

Hydrogen tunneling in enzymes and biomimetic models.

Layfield JP, Hammes-Schiffer S. Layfield JP, et al. Chem Rev. 2014 Apr 9;114(7):3466-94. doi: 10.1021/cr400400p. Epub 2013 Dec 20. Chem Rev. 2014. PMID: 24359189 Free PMC article. Review. No abstract available.

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