Albert Ardèvol
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View article: Enhancing PET Degrading Enzymes: A Combinatory Approach
Enhancing PET Degrading Enzymes: A Combinatory Approach Open
Plastic waste has become a substantial environmental issue. A potential strategy to mitigate this problem is to use enzymatic hydrolysis of plastics to depolymerize post‐consumer waste and allow it to be reused. Over the last few decades, …
View article: Improving plastic degrading enzymes <i>via</i> directed evolution
Improving plastic degrading enzymes <i>via</i> directed evolution Open
Plastic degrading enzymes have immense potential for use in industrial applications. Protein engineering efforts over the last decade have resulted in considerable enhancement of many properties of these enzymes. Directed evolution, a prot…
View article: Dataset for "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase"
Dataset for "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase" Open
This data set contains files related to the article "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase" by Alba Nin-Hill, Albert Ardèvol, Xevi Biarnés, Antoni Planas and Carme Rovira. ABSTRACT Bacterial…
View article: Dataset for "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase"
Dataset for "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase" Open
This data set contains files related to the article "Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase" by Alba Nin-Hill, Albert Ardèvol, Xevi Biarnés, Antoni Planas and Carme Rovira. ABSTRACT Bacterial…
View article: Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins
Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins Open
View article: Retinal isomerization and water-pore formation in channelrhodopsin-2
Retinal isomerization and water-pore formation in channelrhodopsin-2 Open
Significance Channelrhodopsin-2 (ChR2) is a light-activated membrane ion channel that is widely used in biotechnological applications and optogenetics. Nonetheless, key elements of its structure, photocycle, and mechanism of action remain …
View article: The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide
The interaction with gold suppresses fiber-like conformations of the amyloid β (16–22) peptide Open
State-of-the-art classical atomistic molecular dynamics simulations reveal that the interaction of the amyloid β (16–22) peptide with a gold surface is suppressing fiber-like conformations, thanks to the preferential interaction with pheny…
View article: General Protein Data Bank-Based Collective Variables for Protein Folding
General Protein Data Bank-Based Collective Variables for Protein Folding Open
New, automated forms of data analysis are required to understand the high-dimensional trajectories that are obtained from molecular dynamics simulations on proteins. Dimensionality reduction algorithms are particularly appealing in this re…
View article: Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from <i>ab Initio</i> Quantum Mechanics/Molecular Mechanics Dynamic Simulations
Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from <i>ab Initio</i> Quantum Mechanics/Molecular Mechanics Dynamic Simulations Open
Carbohydrate-active enzymes such as glycoside hydrolases (GHs) and glycosyltransferases (GTs) are of growing importance as drug targets. The development of efficient competitive inhibitors and chaperones to treat diseases related to these …
View article: Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map
Probing the Unfolded Configurations of a β-Hairpin Using Sketch-Map Open
This work examines the conformational ensemble involved in β-hairpin folding by means of advanced molecular dynamics simulations and dimensionality reduction. A fully atomistic description of the protein and the surrounding solvent molecul…