Visualitzant per matèria "Dinàmica molecular"
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Analysis of laccase‐like enzymes secreted by fungi isolatedfrom a cave in northern Spain
(Microbiology Open 2022, 11(2), e1279, 2022-04)Laccases belong to a family of multicopper enzymes able to oxidize a broad spectrum of organic compounds. Despite the well-known property of laccases to carry out bleaching and degradation of industrial ... -
Computational analysis of polymer molecular structure effect on nanocavities replication via injection moulding
(Afinidad. Vol.75, n.581 (2018), p.3-8, 2018-01)The purpose of this work is to study how the molecular structure of a polymer affects the replication of nanocavities when injection moulding manufacturing process is used. Even though the process and ... -
Control of Substrate Conformation by Hydrogen Bonding in a Retaining β-Endoglycosidase
(Chemistry - A European Journal 2023, 29(70), e202302555, 2023-12-14)Bacterial β-glycosidases are hydrolytic enzymes that depolymerize polysaccharides such as β-cellulose, β-glucans and β-xylans from different sources, offering diverse biomedical and industrial uses. It ... -
Structure-function features of a mycoplasma glycolipid synthase derived from structural data integration, molecular simulations, and mutational analysis
(PLoS One. Vol.8, n.12 (2013), e81990, 2013-12)Glycoglycerolipids are structural components of mycoplasma membranes with a fundamental role in membrane properties and stability. Their biosynthesis is mediated by glycosyltransferases (GT) that catalyze ... -
Substrate distortion in the Michaelis complex of Bacillus 1,3–1,4-β-glucanase: insight from first principles molecular dynamics simulations
(Journal of Biological Chemistry. Vol.281, n.3 (2006), p.1432–1441, 2006-01)The structure and dynamics of the enzyme-substrate complex of Bacillus 1,3–1,4-β-glucanase, one of the most active glycoside hydrolases, is investigated by means of Car-Parrinello molecular dynamics ...