Batista VS - 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: batista vs. 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

QM/MM study of energy storage and molecular rearrangements due to the primary event in vision.

Gascon JA, Batista VS. Gascon JA, et al. Among authors: batista vs. Biophys J. 2004 Nov;87(5):2931-41. doi: 10.1529/biophysj.104.048264. Epub 2004 Aug 31. Biophys J. 2004. PMID: 15339806 Free PMC article.

3

The mechanism of photosynthetic water splitting.

McEvoy JP, Gascon JA, Batista VS, Brudvig GW. McEvoy JP, et al. Among authors: batista vs. 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: batista vs. 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

Density functional theory and DFT+U study of transition metal porphines adsorbed on Au(111) surfaces and effects of applied electric fields.

Leung K, Rempe SB, Schultz PA, Sproviero EM, Batista VS, Chandross ME, Medforth CJ. Leung K, et al. Among authors: batista vs. J Am Chem Soc. 2006 Mar 22;128(11):3659-68. doi: 10.1021/ja056630o. J Am Chem Soc. 2006. PMID: 16536538

6

Computational studies of the primary phototransduction event in visual rhodopsin.

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

7

Matching-pursuit/split-operator-Fourier-transform simulations of excited-state nonadiabatic quantum dynamics in pyrazine.

Chen X, Batista VS. Chen X, et al. Among authors: batista vs. J Chem Phys. 2006 Sep 28;125(12):124313. doi: 10.1063/1.2356477. J Chem Phys. 2006. PMID: 17014180

8

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: batista vs. 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.

9

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: batista vs. 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.

10

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: batista vs. 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

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