Ardèvol A - Search Results

1

Enzymatic Cleavage of Glycosidic Bonds: Strategies on How to Set Up and Control a QM/MM Metadynamics Simulation.

Raich L, Nin-Hill A, Ardèvol A, Rovira C. Raich L, et al. Among authors: ardevol a. Methods Enzymol. 2016;577:159-83. doi: 10.1016/bs.mie.2016.05.015. Epub 2016 Jul 1. Methods Enzymol. 2016. PMID: 27498638 Review.

2

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: ardevol a. 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

3

Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.

Gallego O, Ruiz FX, Ardèvol A, Domínguez M, Alvarez R, de Lera AR, Rovira C, Farrés J, Fita I, Parés X. Gallego O, et al. Among authors: ardevol a. Proc Natl Acad Sci U S A. 2007 Dec 26;104(52):20764-9. doi: 10.1073/pnas.0705659105. Epub 2007 Dec 17. Proc Natl Acad Sci U S A. 2007. PMID: 18087047 Free PMC article.

4

Aldo-keto reductases from the AKR1B subfamily: retinoid specificity and control of cellular retinoic acid levels.

Ruiz FX, Gallego O, Ardèvol A, Moro A, Domínguez M, Alvarez S, Alvarez R, de Lera AR, Rovira C, Fita I, Parés X, Farrés J. Ruiz FX, et al. Among authors: ardevol a. Chem Biol Interact. 2009 Mar 16;178(1-3):171-7. doi: 10.1016/j.cbi.2008.10.027. Epub 2008 Oct 25. Chem Biol Interact. 2009. PMID: 19014918

5

Mechanism of cellulose hydrolysis by inverting GH8 endoglucanases: a QM/MM metadynamics study.

Petersen L, Ardèvol A, Rovira C, Reilly PJ. Petersen L, et al. Among authors: ardevol a. J Phys Chem B. 2009 May 21;113(20):7331-9. doi: 10.1021/jp811470d. J Phys Chem B. 2009. PMID: 19402614 Free article.

6

Analysis of the reaction coordinate of alpha-L-fucosidases: a combined structural and quantum mechanical approach.

Lammerts van Bueren A, Ardèvol A, Fayers-Kerr J, Luo B, Zhang Y, Sollogoub M, Blériot Y, Rovira C, Davies GJ. Lammerts van Bueren A, et al. Among authors: ardevol a. J Am Chem Soc. 2010 Feb 17;132(6):1804-6. doi: 10.1021/ja908908q. J Am Chem Soc. 2010. PMID: 20092273

7

Molecular mechanism of the glycosylation step catalyzed by Golgi alpha-mannosidase II: a QM/MM metadynamics investigation.

Petersen L, Ardèvol A, Rovira C, Reilly PJ. Petersen L, et al. Among authors: ardevol a. J Am Chem Soc. 2010 Jun 23;132(24):8291-300. doi: 10.1021/ja909249u. J Am Chem Soc. 2010. PMID: 20504027

8

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. 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

9

Human and rodent aldo-keto reductases from the AKR1B subfamily and their specificity with retinaldehyde.

Ruiz FX, Moro A, Gallego O, Ardèvol A, Rovira C, Petrash JM, Parés X, Farrés J. Ruiz FX, et al. Among authors: ardevol a. Chem Biol Interact. 2011 May 30;191(1-3):199-205. doi: 10.1016/j.cbi.2011.02.007. Epub 2011 Feb 15. Chem Biol Interact. 2011. PMID: 21329680 Free PMC article.

10

Retinaldehyde is a substrate for human aldo-keto reductases of the 1C subfamily.

Ruiz FX, Porté S, Gallego O, Moro A, Ardèvol A, Del Río-Espínola A, Rovira C, Farrés J, Parés X. Ruiz FX, et al. Among authors: ardevol a. Biochem J. 2011 Dec 15;440(3):335-44. doi: 10.1042/BJ20111286. Biochem J. 2011. PMID: 21851338

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