Voityuk AA - Search Results

1

In-silico assessment of protein-protein electron transfer. a case study: cytochrome c peroxidase--cytochrome c.

Wallrapp FH, Voityuk AA, Guallar V. Wallrapp FH, et al. Among authors: voityuk aa. PLoS Comput Biol. 2013;9(3):e1002990. doi: 10.1371/journal.pcbi.1002990. Epub 2013 Mar 21. PLoS Comput Biol. 2013. PMID: 23555224 Free PMC article.

2

Solvent Effects on Donor-Acceptor Couplings in Peptides. A Combined QM and MD Study.

Wallrapp F, Voityuk A, Guallar V. Wallrapp F, et al. J Chem Theory Comput. 2009 Dec 8;5(12):3312-20. doi: 10.1021/ct900377j. J Chem Theory Comput. 2009. PMID: 26602511

3

Temperature Effects on Donor-Acceptor Couplings in Peptides. A Combined Quantum Mechanics and Molecular Dynamics Study.

Wallrapp FH, Voityuk AA, Guallar V. Wallrapp FH, et al. Among authors: voityuk aa. J Chem Theory Comput. 2010 Oct 12;6(10):3241-8. doi: 10.1021/ct100363e. J Chem Theory Comput. 2010. PMID: 26616786

4

On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. The three state model.

Butchosa C, Simon S, Blancafort L, Voityuk AA. Butchosa C, et al. Among authors: voityuk aa. Phys Chem Chem Phys. 2014 Aug 28;16(32):17154-62. doi: 10.1039/c4cp02117g. Epub 2014 Jul 10. Phys Chem Chem Phys. 2014. PMID: 25010229

5

Electron-hole transfer in G-quadruplexes with different tetrad stacking geometries: a combined QM and MD study.

Lech CJ, Phan AT, Michel-Beyerle ME, Voityuk AA. Lech CJ, et al. Among authors: voityuk aa. J Phys Chem B. 2013 Aug 29;117(34):9851-6. doi: 10.1021/jp404788t. Epub 2013 Aug 16. J Phys Chem B. 2013. PMID: 23906279

6

Long-range electron transfer in biomolecules. Tunneling or hopping?

Voityuk AA. Voityuk AA. J Phys Chem B. 2011 Oct 27;115(42):12202-7. doi: 10.1021/jp2054876. Epub 2011 Oct 5. J Phys Chem B. 2011. PMID: 21923189

7

Single Amino Acid Mutation Controls Hole Transfer Dynamics in DNA-Methyltransferase HhaI Complexes.

Corbella M, Voityuk AA, Curutchet C. Corbella M, et al. Among authors: voityuk aa. J Phys Chem Lett. 2015 Sep 17;6(18):3749-53. doi: 10.1021/acs.jpclett.5b01683. Epub 2015 Sep 8. J Phys Chem Lett. 2015. PMID: 26722751

8

Conformationally Gated Charge Transfer in DNA Three-Way Junctions.

Zhang Y, Young RM, Thazhathveetil AK, Singh AP, Liu C, Berlin YA, Grozema FC, Lewis FD, Ratner MA, Renaud N, Siriwong K, Voityuk AA, Wasielewski MR, Beratan DN. Zhang Y, et al. Among authors: voityuk aa. J Phys Chem Lett. 2015 Jul 2;6(13):2434-8. doi: 10.1021/acs.jpclett.5b00863. Epub 2015 Jun 11. J Phys Chem Lett. 2015. PMID: 26266714

9

How abasic sites impact hole transfer dynamics in GC-rich DNA sequences.

Corbella M , Voityuk AA , Curutchet C . Corbella M , et al. Among authors: voityuk aa. Phys Chem Chem Phys. 2018 Sep 12;20(35):23123-23131. doi: 10.1039/c8cp03572e. Phys Chem Chem Phys. 2018. PMID: 30168547 Free article.

10

Effects of dynamic disorder on exciton delocalization and photoinduced charge separation in DNA.

Voityuk AA. Voityuk AA. Photochem Photobiol Sci. 2013 Aug;12(8):1303-9. doi: 10.1039/c2pp25389e. Photochem Photobiol Sci. 2013. PMID: 23353786

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