Gascón JA - Search Results

1

Computational insights into the O2-evolving complex of photosystem II.

Sproviero EM, McEvoy JP, Gascón JA, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. Photosynth Res. 2008 Jul;97(1):91-114. doi: 10.1007/s11120-008-9307-0. Epub 2008 May 16. Photosynth Res. 2008. PMID: 18483777 Free PMC article. Review.

2

The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.

Askerka M, Ho J, Batista ER, Gascón JA, Batista VS. Askerka M, et al. Among authors: gascon ja. Methods Enzymol. 2016;577:443-81. doi: 10.1016/bs.mie.2016.05.021. Epub 2016 Jul 15. Methods Enzymol. 2016. PMID: 27498648 Free PMC article. Review.

3

The mechanism of photosynthetic water splitting.

McEvoy JP, Gascon JA, Batista VS, Brudvig GW. McEvoy JP, et al. Among authors: gascon ja. Photochem Photobiol Sci. 2005 Dec;4(12):940-9. doi: 10.1039/b506755c. Epub 2005 Oct 4. Photochem Photobiol Sci. 2005. PMID: 16307106

4

Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: evaluation of the DFT/B3LYP level of theory.

Sproviero EM, Gascon JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. J Inorg Biochem. 2006 Apr;100(4):786-800. doi: 10.1016/j.jinorgbio.2006.01.017. Epub 2006 Feb 28. J Inorg Biochem. 2006. PMID: 16510187

5

Computational studies of the primary phototransduction event in visual rhodopsin.

Gascón JA, Sproviero EM, Batista VS. Gascón JA, et al. Acc Chem Res. 2006 Mar;39(3):184-93. doi: 10.1021/ar050027t. Acc Chem Res. 2006. PMID: 16548507

6

Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. Curr Opin Struct Biol. 2007 Apr;17(2):173-80. doi: 10.1016/j.sbi.2007.03.015. Epub 2007 Mar 28. Curr Opin Struct Biol. 2007. PMID: 17395452 Review.

7

QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II.

Sproviero EM, Shinopoulos K, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. Philos Trans R Soc Lond B Biol Sci. 2008 Mar 27;363(1494):1149-56; discussion 1156. doi: 10.1098/rstb.2007.2210. Philos Trans R Soc Lond B Biol Sci. 2008. PMID: 17971333 Free PMC article. Review.

8

Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. J Am Chem Soc. 2008 Mar 19;130(11):3428-42. doi: 10.1021/ja076130q. Epub 2008 Feb 22. J Am Chem Soc. 2008. PMID: 18290643

9

A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. J Am Chem Soc. 2008 May 28;130(21):6728-30. doi: 10.1021/ja801979n. Epub 2008 May 6. J Am Chem Soc. 2008. PMID: 18457397 Free PMC article.

10

Computational studies of the O(2)-evolving complex of photosystem II and biomimetic oxomanganese complexes.

Sproviero EM, Gascón JA, McEvoy JP, Brudvig GW, Batista VS. Sproviero EM, et al. Among authors: gascon ja. Coord Chem Rev. 2008 Feb;252(3-4):395-415. doi: 10.1016/j.ccr.2007.09.006. Coord Chem Rev. 2008. PMID: 19190716 Free PMC article.

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