D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 49 Citations 7,941 239 World Ranking 11083 National Ranking 431

Overview

What is she best known for?

The fields of study she is best known for:

  • Enzyme
  • Organic chemistry
  • Catalysis

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.

Her most cited work include:

  • Equilibrium Geometries and Electronic Structure of Iron-Porphyrin Complexes: A Density Functional Study (268 citations)
  • The molecular mechanism of the catalase reaction. (184 citations)
  • Privateer: software for the conformational validation of carbohydrate structures. (175 citations)

What are the main themes of her work throughout her whole career to date?

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

  • Hydrogen peroxide that intertwine with fields like Peroxidase,
  • Reaction intermediate that connect with fields like Anomer. Her research investigates the connection between Catalysis and topics such as Acceptor that intersect with issues in N-linked glycosylation.

She most often published in these fields:

  • Stereochemistry (70.64%)
  • Enzyme (34.89%)
  • Crystallography (22.98%)

What were the highlights of her more recent work (between 2017-2021)?

  • Enzyme (34.89%)
  • Stereochemistry (70.64%)
  • Catalysis (27.66%)

In recent papers she was focusing on the following fields of study:

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.

Between 2017 and 2021, her most popular works were:

  • QM/MM studies into the H2O2-dependent activity of lytic polysaccharide monooxygenases: evidence for the formation of a caged hydroxyl radical intermediate (53 citations)
  • Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging (34 citations)
  • Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging (34 citations)

In her most recent research, the most cited papers focused on:

  • Enzyme
  • Organic chemistry
  • Catalysis

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.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

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)

437 Citations

The molecular mechanism of the catalase reaction.

Mercedes Alfonso-Prieto;Xevi Biarnés;Pietro Vidossich;Carme Rovira.
Journal of the American Chemical Society (2009)

319 Citations

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)

266 Citations

Conformational analyses of the reaction coordinate of glycosidases.

Gideon J. Davies;Antoni Planas;Carme Rovira.
Accounts of Chemical Research (2012)

245 Citations

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)

225 Citations

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)

214 Citations

Do thiols merely passivate gold nanoclusters

Garzon Il;Rovira C;Michaelian K;Beltran Mr.
Physical Review Letters (2000)

206 Citations

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)

181 Citations

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)

155 Citations

Organic radicals on surfaces: towards molecular spintronics

M. Mas-Torrent;N. Crivillers;V. Mugnaini;I. Ratera.
Journal of Materials Chemistry (2009)

131 Citations

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