Browsing by Author Rovira i Virgili, Carme
Showing results 18 to 34 of 34
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| Issue Date | Title | Author(s) |
|---|---|---|
| 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- |
| Jun-2023 | Glycosidase mechanisms: Sugar conformations and reactivity in endo- and exo-acting enzymes | Abrahão Bueno Morais, Mariana; Nin Hill, Alba; Rovira i Virgili, Carme |
| 20-Oct-2023 | Human O-GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics | Calvelo, Martín; Males, Alexandra; Alteen, Matthew G.; Willems, Lianne I.; Vocadlo, David J.; Davies, Gideon J.; Rovira i Virgili, Carme |
| 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 |
| 19-Nov-2020 | Photocontrol of endogenous glycine receptors in vivo | Gomila, Alexandre MJ; Rustler, Karin; Maleeva, Galyna; Nin-Hill, Alba; Wutz, Daniel; Bautista-Barrufet, Antoni; Rovira, Xavier; Bosch, Miquel; Mukhametova, Elvira; Petukhova, Elena; Ponomareva, Daria; Mukhamedyarov, Marat; Peiretti, Franck; Alfonso Prieto, Mercedes; Rovira i Virgili, Carme; König, Burkhard; Bregestovski, Piotr; Gorostiza, Pau |
| 27-Jul-2022 | Rational Tuning of the Reactivity of Three-Membered Heterocycle Ring Openings via SN2 Reactions | Hansen, Thomas; Nin-Hill, Alba; Codée, Jeroen D. C.; Hamlin, Trevor A.; Rovira i Virgili, Carme |
| 5-May-2023 | Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation | Pengthaisong, Salila; Piniello, Beatriz; Davies, Gideon J.; Rovira i Virgili, Carme; Ketudat Cairns, James R. |
| 2-Feb-2018 | Redesigning the coumarin scaffold into small bright fluorophores with far-red to NIR emission and large Stokes' shifts useful for cell imaging | Gandioso, Albert; Bresolí-Obach, Roger; Nin-Hill, Alba; Bosch Marimon, Manel; Palau Requena, Marta; Galindo Muñoz, Alex; Contreras, Sara; Rovira, Anna; Rovira i Virgili, Carme; Nonell, Santi; Marchán Sancho, Vicente |
| 2016 | Selective derivatization of N-terminal cysteines using cyclopentenediones | Brun Cubero, Omar; Agramunt, Jordi; Raich Armendáriz, Lluís Adrià; Rovira i Virgili, Carme; Pedroso Muller, Enrique; Grandas Sagarra, Anna |
| Jul-2017 | Sequential uncaging with green light can be achieved by fine-tuning the structure of a dicyanocoumarin chromophore | Gandioso, Albert; Palau Requena, Marta; Nin-Hill, Alba; Melnyk, Ivanna; Rovira i Virgili, Carme; Nonell, Santi; Velasco Castrillo, Dolores; Garcia Amorós, Jaume; Marchán Sancho, Vicente |
| 4-Dec-2024 | Simulations of glycoside hydrolase and phosphorylase reaction mechanism: families GH20, GH29, GH129 and GH130 | Cuxart Sanchez, Irene |
| 7-Apr-2023 | Substrate-assisted mechanism for the degradation of n-glycans by a gut bacterial mannoside phosphorylase | Alfonso Prieto, Mercedes; Cuxart Sanchez, Irene; Potocki-Véronèse, Gabrielle; André, Isabelle; Rovira i Virgili, Carme |
| 14-Jan-2021 | Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations | Morais, Mariana A. B.; Coines, Joan; Domingues, Mariane N.; Pirolla, Renan A. S.; Tonoli, Celisa C. C.; Santos, Camila R.; Correa, Jessica B. L.; Gozzo, Fabio C.; Rovira i Virgili, Carme; Murakami, Mario T. |
| 14-Jun-2018 | Unveiling Protein-Substrate Interactions and Conformations that Influence Catalysis in Carbohydrate-Active Enzymes | Raich Armendáriz, Lluís Adrià |