Rovira C - Search Results

1

Substrate distortion in the Michaelis complex of Bacillus 1,3-1,4-beta-glucanase. Insight from first principles molecular dynamics simulations.

Biarnés X, Nieto J, Planas A, Rovira C. Biarnés X, et al. Among authors: rovira c. J Biol Chem. 2006 Jan 20;281(3):1432-41. doi: 10.1074/jbc.M507643200. Epub 2005 Oct 31. J Biol Chem. 2006. PMID: 16260784 Free article.

2

Structure-energy relations in methylcobalamin with and without bound axial base.

Rovira C, Biarnés X, Kunc K. Rovira C, et al. Inorg Chem. 2004 Oct 18;43(21):6628-32. doi: 10.1021/ic049810s. Inorg Chem. 2004. PMID: 15476360

3

Study of ligand-protein interactions by means of density functional theory and first-principles molecular dynamics.

Rovira C. Rovira C. Methods Mol Biol. 2005;305:517-54. doi: 10.1385/1-59259-912-5:517. Methods Mol Biol. 2005. PMID: 15940012

4

Structure, protonation state and dynamics of catalase compound II.

Rovira C. Rovira C. Chemphyschem. 2005 Sep 5;6(9):1820-6. doi: 10.1002/cphc.200400633. Chemphyschem. 2005. PMID: 16110518

5

First principles study of coenzyme B12. Crystal packing forces effect on axial bond lengths.

Rovira C, Kozlowski PM. Rovira C, et al. J Phys Chem B. 2007 Mar 29;111(12):3251-7. doi: 10.1021/jp0660029. Epub 2007 Mar 6. J Phys Chem B. 2007. PMID: 17388442

6

The conformational free energy landscape of beta-D-glucopyranose. Implications for substrate preactivation in beta-glucoside hydrolases.

Biarnés X, Ardèvol A, Planas A, Rovira C, Laio A, Parrinello M. Biarnés X, et al. Among authors: rovira c. J Am Chem Soc. 2007 Sep 5;129(35):10686-93. doi: 10.1021/ja068411o. Epub 2007 Aug 14. J Am Chem Soc. 2007. PMID: 17696342

7

Essential role of proximal histidine-asparagine interaction in mammalian peroxidases.

Carpena X, Vidossich P, Schroettner K, Calisto BM, Banerjee S, Stampler J, Soudi M, Furtmüller PG, Rovira C, Fita I, Obinger C. Carpena X, et al. Among authors: rovira c. J Biol Chem. 2009 Sep 18;284(38):25929-37. doi: 10.1074/jbc.M109.002154. Epub 2009 Jul 16. J Biol Chem. 2009. PMID: 19608745 Free PMC article.

8

The molecular mechanism of the catalase reaction.

Alfonso-Prieto M, Biarnés X, Vidossich P, Rovira C. Alfonso-Prieto M, et al. Among authors: rovira c. J Am Chem Soc. 2009 Aug 26;131(33):11751-61. doi: 10.1021/ja9018572. J Am Chem Soc. 2009. PMID: 19653683

9

Reductive cleavage mechanism of Co-C bond in cobalamin-dependent methionine synthase.

Alfonso-Prieto M, Biarnés X, Kumar M, Rovira C, Kozlowski PM. Alfonso-Prieto M, et al. Among authors: rovira c. J Phys Chem B. 2010 Oct 14;114(40):12965-71. doi: 10.1021/jp1043738. J Phys Chem B. 2010. PMID: 20853870

10

The conformational free-energy landscape of β-D-mannopyranose: evidence for a (1)S(5) → B(2,5) → (O)S(2) catalytic itinerary in β-mannosidases.

Ardèvol A, Biarnés X, Planas A, Rovira C. Ardèvol A, et al. Among authors: rovira c. J Am Chem Soc. 2010 Nov 17;132(45):16058-65. doi: 10.1021/ja105520h. Epub 2010 Oct 25. J Am Chem Soc. 2010. PMID: 20973526

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