Browsing by Author Rovira i Virgili, Carme
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| Issue Date | Title | Author(s) |
|---|---|---|
| 8-Nov-2016 | A β-mannannase with a lysozyme fold and a novel molecular catalytic mechanism | Jin, Yi; Petricevic, Marija; John, Alan; Raich Armendáriz, Lluís Adrià; Jenkins, Huw; Portela de Souza, Leticia; Cuskin, Fiona; Gilbert, Harry J.; Rovira i Virgili, Carme; Goddard-Borger, Ethan D.; Williams, Spencer J.; Davies, Gideon J. |
| 11-Jan-2018 | Can an alcohol act as an acid/base catalyst in water solution? An experimental and theoretical study of imidazole catalysis of the Morita-Baylis-Hillman reaction | Raich Armendáriz, Lluís Adrià; Santos, Hugo; Gomes, Juliana C.; Rodrigues, Jr., Manoel T.; Galaverna, Renan; Eberlin, Marcos N.; Coelho, Fernando; Rovira i Virgili, Carme; Moyano i Baldoire, Albert |
| 20-Jan-2014 | Combined inhibitor free-energy landscape and structural analysis reports on the mannosidase conformational coordinate | Williams, Rohan J.; Iglesias-Fernández, Javier; Stepper, Judith; Jackson, Adam; Thompson, Andrew J.; Lowe, Elisabeth C.; White, Jonathan M.; Gilbert, Harry J.; Rovira i Virgili, Carme; Davies, Gideon J.; Williams, Spencer J. |
| 17-Nov-2023 | Computational insights into carbohydrate epimerase mechanisms | Esquivias Bautista de Lisbona, Oriol |
| Jun-2020 | Computational study of the active center of an endo-B-1,4-mannosidase, a carbohydrate-degrading enzyme | Silvestre Barceló, Ricard |
| 2021 | Computational Study of the Conformational Free Energy Landscape of β-D-Glucopyranose | Olives Salmerón, Adrià |
| 24-Jan-2022 | Computer Simulation to Rationalize "Rational" Engineering of Glycoside Hydrolases and Glycosyltransferases | Coines, Joan; Cuxart, Irene; Teze, David; Rovira i Virgili, Carme |
| 12-Jul-2017 | Conformational and mechanistic analyses of α- and β-glycosidase substrates by ab initio QM/MM methods | Alonso Gil, Santiago |
| 26-Oct-2020 | Conformational catalytic itineraries of five- and six-membered sugar rings in enzymatic and superacid media | Nin Hill, Alba |
| 1-Nov-2016 | Desxifrant mecanismes enzimàtics per mitjà d'eines computacionals: implicacions biotecnològiques en l'estudi de glicosidases | Raich Armendáriz, Lluís Adrià; Rovira i Virgili, Carme |
| 11-Dec-2000 | Do Thiols Merely Passivate Gold Nanoclusters? | Garzón, I.; Rovira i Virgili, Carme; Michaelian, K.; Beltrán, M. R.; Ordejón, Pablo; Junquera, J.; Sánchez Portal, D.; Artacho, E.; Soler, J. M. |
| 19-Sep-2014 | Elucidating catalytic mechanisms of glycoside hydrolases and transferases by means of ab initio molecular dynamics simulations | Iglesias Fernández, Javier |
| 9-Dec-2013 | Enantioselective preparation of delta-valerolactones using horse liver alcohol dehydrogenase | Díaz-Rodríguez, Alba; Iglesias-Fernández, Javier; Rovira i Virgili, Carme; Gotor-Fernández, Vicente |
| 6-Apr-2022 | Enzymatic Hydrolysis of Human Milk Oligosaccharides. The Molecular Mechanism of Bifidobacterium Bifidum Lacto-N-biosidase | Cuxart, Irene; Coines, Joan; Esquivias, Oriol; Faijes, Magda; Planas, Antoni; Biarnés, Xevi; Rovira i Virgili, Carme |
| 1-Jan-1996 | Estudi teòric d'interaccions intermoleculars en sistemes senzills i cristalls orgànics moleculars | Rovira i Virgili, Carme |
| 2002 | First-principles study of the neutral molecular metal Ni(tmdt)2. | Rovira i Virgili, Carme; Novoa Vide, Juan J.; Mozos Liz, José Luis de los; Ordejón, Pablo; Canadell, Enric, 1950- |
| 7-Nov-2007 | Mecanismes de preactivació de substrat en 1,3-1,4-beta-glucanasa. Modelització mitjançant dinàmica molecular de primers principis | Biarnés Fontal, Xavier |
| 20-Jan-2021 | Mechanistic insights into substrate-assisted catalysis in glycosidases by means of QM/MM molecular dynamics | Coines Lopez-Nieto, Juan |
| Jan-2022 | Neuraminidase superfamily compendium | Recio Sierra, Alba |
| 19-Nov-2022 | Phosphorylation disrupts long-distance electron transport in cytochrome c | Gomila, Alexandre M. J.; Pérez-Mejías, Gonzalo; Nin-Hill, Alba; Guerra-Castellano, Alejandra; Casas-Ferrer, Laura; Ortiz Tescari, Sthefany; Díaz Quintana, Antonio; Samitier i Martí, Josep; Rovira i Virgili, Carme; De la Rosa, Miguel A.; Díaz Moreno, Irene; Gorostiza, Pau; Giannotti, Marina Inés; Lagunas, Anna |