Carme Rovira mainly focuses on Stereochemistry, Crystallography, QM/MM, Molecular dynamics and Porphyrin. She combines subjects such as Substrate, Enzyme, Oxocarbenium and Reaction mechanism with her study of Stereochemistry. Her biological study deals with issues like Density functional theory, which deal with fields such as Electronic structure.
Her QM/MM research is multidisciplinary, incorporating perspectives in Double bond and Metadynamics. As a part of the same scientific study, she usually deals with the Molecular dynamics, concentrating on Glycoside hydrolase and frequently concerns with Glycosidic bond and Protein structure. Her Porphyrin research incorporates themes from Atom and Single bond.
Carme Rovira mainly investigates Stereochemistry, Enzyme, Crystallography, Active site and Catalysis. The Stereochemistry study combines topics in areas such as Metadynamics, Molecular dynamics, Glycosidic bond, Substrate and Glycoside hydrolase. Her research on Enzyme concerns the broader Biochemistry.
Her Crystallography research includes elements of Protonation, Density functional theory, Ligand and Porphyrin. Her Active site study also includes
Carme Rovira mostly deals with Enzyme, Stereochemistry, Catalysis, Glycoside hydrolase and Biochemistry. Her research integrates issues of Biophysics, Binding site and Transmembrane protein in her study of Enzyme. Her Stereochemistry study combines topics in areas such as Reaction intermediate, Active site, QM/MM, Nucleophile and Metadynamics.
Her biological study spans a wide range of topics, including Hydrolysis, Acceptor, N-linked glycosylation and Substrate. Her studies deal with areas such as Cleavage and Oxocarbenium as well as Glycoside hydrolase. Her work on Polysaccharide as part of general Biochemistry research is frequently linked to Functional profiling, β galactocerebrosidase and Car–Parrinello method, thereby connecting diverse disciplines of science.
Her main research concerns Stereochemistry, Enzyme, Catalysis, Substrate and Active site. Carme Rovira performs multidisciplinary study in Stereochemistry and Linker in her work. Her Enzyme study deals with the bigger picture of Biochemistry.
Her work in the fields of Catalysis, such as QM/MM, intersects with other areas such as Monooxygenase. Her studies in Substrate integrate themes in fields like Hydrolase, Enzyme activator and Glycogen, Glycogen synthase. Her work carried out in the field of Active site brings together such families of science as Reaction coordinate, Enzyme kinetics and Nucleophile, Oxocarbenium.
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Equilibrium Geometries and Electronic Structure of Iron-Porphyrin Complexes: A Density Functional Study
Carme Rovira;Karel Kunc;Jürg Hutter;Pietro Ballone.
Journal of Physical Chemistry A (1997)
The molecular mechanism of the catalase reaction.
Mercedes Alfonso-Prieto;Xevi Biarnés;Pietro Vidossich;Carme Rovira.
Journal of the American Chemical Society (2009)
Privateer: software for the conformational validation of carbohydrate structures.
Jon Agirre;Javier Iglesias-Fernández;Carme Rovira;Carme Rovira;Gideon J Davies.
Nature Structural & Molecular Biology (2015)
Conformational analyses of the reaction coordinate of glycosidases.
Gideon J. Davies;Antoni Planas;Carme Rovira.
Accounts of Chemical Research (2012)
The conformational free energy landscape of beta-D-glucopyranose. Implications for substrate preactivation in beta-glucoside hydrolases.
Xevi Biarnés;Albert Ardèvol;Antoni Planas;Carme Rovira.
Journal of the American Chemical Society (2007)
Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations
Albert Ardèvol;Carme Rovira;Carme Rovira.
Journal of the American Chemical Society (2015)
Do thiols merely passivate gold nanoclusters
Garzon Il;Rovira C;Michaelian K;Beltran Mr.
Physical Review Letters (2000)
Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10
Oriol Gallego;F. Xavier Ruiz;Albert Ardèvol;Marta Domínguez.
Proceedings of the National Academy of Sciences of the United States of America (2007)
Influence of the Heme Pocket Conformation on the Structure and Vibrations of the Fe-CO Bond in Myoglobin: A QM/MM Density Functional Study
Carme Rovira;Brita Schulze;Markus Eichinger;Jeffrey D. Evanseck.
Biophysical Journal (2001)
Organic radicals on surfaces: towards molecular spintronics
M. Mas-Torrent;N. Crivillers;V. Mugnaini;I. Ratera.
Journal of Materials Chemistry (2009)
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