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Chemistry

D-Index
57
Citations
11575
World Ranking
11084
National Ranking
397

Overview

Carme Rovira is affiliated with the University of Barcelona in Spain. Their research primarily spans the fields of biochemistry, genetics, molecular biology, and chemistry. The scientist has made notable contributions to subfields including molecular biology, organic chemistry, biotechnology, materials chemistry, and nutrition and dietetics.

The main topics of Carme Rovira's work involve glycosylation and glycoproteins research, carbohydrate chemistry and synthesis, enzyme production and characterization, enzyme catalysis and immobilization, infant nutrition and health, lysosomal storage disorders research, and enzyme structure and function.

Frequent coauthors in their publications include Alba Nin-Hill, G.J. Davies, Ramón Hurtado-Guerrero, Víctor Taleb, and Ismael Compañón.

Research papers authored or coauthored by Carme Rovira encompass:

  • Activation of O2 and H2O2 by Lytic Polysaccharide Monooxygenases, 2020, ACS Catalysis
  • O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering, 2021, ACS Catalysis
  • How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners?, 2022, Accounts of Chemical Research
  • An Epoxide Intermediate in Glycosidase Catalysis, 2020, ACS Central Science
  • Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining α-l-Arabinofuranosidases, 2020, Journal of the American Chemical Society

The most frequent venues for their publications include:

  • ACS Catalysis
  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of the American Chemical Society
  • Nature Communications
  • Angewandte Chemie International Edition

Best Publications

  • The molecular mechanism of the catalase reaction.

    Mercedes Alfonso-Prieto;Xevi Biarnés;Pietro Vidossich;Carme Rovira

  • Equilibrium Geometries and Electronic Structure of Iron-Porphyrin Complexes: A Density Functional Study

    Carme Rovira;Karel Kunc;Jürg Hutter;Pietro Ballone

  • Privateer: software for the conformational validation of carbohydrate structures.

    Jon Agirre;Javier Iglesias-Fernández;Carme Rovira;Carme Rovira;Gideon J Davies

  • 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

  • Conformational analyses of the reaction coordinate of glycosidases.

    Gideon J. Davies;Antoni Planas;Carme Rovira

  • 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

  • Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10

    Oriol Gallego;F. Xavier Ruiz;Albert Ardèvol;Marta Domínguez

  • Organic radicals on surfaces: towards molecular spintronics

    M. Mas-Torrent;N. Crivillers;V. Mugnaini;I. Ratera

  • 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

  • CH…S and S…S: Two major forces in organic conductors

    Juan J. Novoa;M. Carme Rovira;Concepció Rovira;Jaume Veciana

  • QM/MM studies into the H2O2-dependent activity of lytic polysaccharide monooxygenases: evidence for the formation of a caged hydroxyl radical intermediate

    Binju Wang;Esther M. Johnston;Pengfei Li;Pengfei Li;Sason Shaik

  • Molecular Mechanisms of Oxygen Activation and Hydrogen Peroxide Formation in Lytic Polysaccharide Monooxygenases

    Binju Wang;Paul H. Walton;Carme Rovira;Carme Rovira

  • The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase.

    Etienne Derat;Sason Shaik;Carme Rovira;Pietro Vidossich

  • Substrate Distortion in the Michaelis Complex of Bacillus 1,3–1,4-β-Glucanase: INSIGHT FROM FIRST PRINCIPLES MOLECULAR DYNAMICS SIMULATIONS

    Xevi Biarnés;Joan Nieto;Antoni Planas;Carme Rovira

  • The Molecular Mechanism of the Catalase-like Activity in Horseradish Peroxidase

    Pablo Campomanes;Ursula Rothlisberger;Mercedes Alfonso-Prieto;Carme Rovira;Carme Rovira

  • On the Role of Water in Peroxidase Catalysis: A Theoretical Investigation of HRP Compound I Formation

    Pietro Vidossich;Giacomo Fiorin;Mercedes Alfonso-Prieto;Etienne Derat

  • The molecular mechanism of enzymatic glycosyl transfer with retention of configuration: evidence for a short-lived oxocarbenium-like species.

    Albert Ardèvol;Carme Rovira

  • Molecular-Scale Ligand Effects in Small Gold–Thiolate Nanoclusters

    Daniel M. Chevrier;Lluís Raich;Carme Rovira;Carme Rovira;Anindita Das

  • Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging

    Albert Gandioso;Roger Bresolí-Obach;Alba Nin-Hill;Manel Bosch

  • Mechanism of cellulose hydrolysis by inverting GH8 endoglucanases: a QM/MM metadynamics study.

    Luis Petersen;Albert Ardèvol;Carme Rovira;Peter J. Reilly

  • Catalytic itinerary in 1,3-1,4-β-glucanase unraveled by QM/MM metadynamics. Charge is not yet fully developed at the oxocarbenium ion-like transition state.

    Xevi Biarnés;Albert Ardèvol;Javier Iglesias-Fernández;Antoni Planas

  • Structural and electronic properties of Co-corrole, Co-corrin, and Co-porphyrin.

    Carme Rovira;Karel Kunc;Karel Kunc;Jürg Hutter;Michele Parrinello

Frequent Co-Authors

Jaume Veciana
Jaume Veciana Institut de Ciència de Materials de Barcelona
Gideon J. Davies
Gideon J. Davies University of York
Enric Canadell
Enric Canadell Institut de Ciència de Materials de Barcelona
Manuel Almeida
Manuel Almeida University of Porto
Ignacio Fita
Ignacio Fita Spanish National Research Council
Spencer J. Williams
Spencer J. Williams University of Melbourne
Daniel Ruiz-Molina
Daniel Ruiz-Molina Spanish National Research Council
Juan J. Novoa
Juan J. Novoa University of Barcelona
Herman S. Overkleeft
Herman S. Overkleeft Leiden University

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