Carme Rovira

ResearcherID Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 58

Top Venues

Nature communications

Journal of agricultural and food chemistry

Journal of the American Chemical Society

ACS catalysis

Universitat de Barcelona

University of Barcelona (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universitat de Barcelona

Spain

ICREA Research Professor :: Department of Chemistry

Parc Científic Barcelona

Spain

ICREA Research Professor :: Computer Simulation and Modeling Laboratory (CoSMoLAB)

Parc Científic Barcelona

Spain

Ramón y Cajal researcher

Universitat de Barcelona

Spain

Post-doctoral fellow :: Department of Chemistry

Max-Planck-Institut für Festkörperforschung Jan 01 1996 - Sep 01 1998

Germany

Post-doctoral Marie-Curie fellow :: Abteilung Parrinello

Education History

University of Barcelona Jan 01 1992 - Dec 31 1995

Spain

PHD :: Department of Chemistry

University of Barcelona Oct 01 1985 - Jun 30 1991

Spain

BSC :: Department of Chemistry

Publications

Beatriz Piniello, Javier Macías-León, Shun Miyazaki, Ana García-García, Ismael Compañón, Mattia Ghirardello, Víctor Taleb, Billy Veloz, Francisco Corzana, Atsushi Miyagawa, Carme Rovira, Ramon Hurtado Guerrero
Author Correction: Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nature communications 15 (1) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry 72 (19) (2024)
Marta Artola, Johannes M F G Aerts, Gijsbert A van der Marel, Carme Rovira, Jeroen D C Codée, Gideon J Davies, Herman S Overkleeft
From Mechanism-Based Retaining Glycosidase Inhibitors to Activity-Based Glycosidase Profiling. Journal of the American Chemical Society (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry 72 (19) (2024)
Tim P Ofman, Jurriaan J A Heming, Alba Nin-Hill, Florian Küllmer, Elisha Moran, Megan Bennett, Roy Steneker, Anne-Mei Klein, Gijs Ruijgrok, Ken Kok, Zach W B Armstrong, Johannes M F G Aerts, Gijsbert A van der Marel, Carme Rovira, Gideon J Davies, Marta Artola, Jeroen D C Codée, Herman S Overkleeft
Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining α-Glucosidase Inhibition. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Correction to "Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-L-Fucosidases". Journal of agricultural and food chemistry 72 (25) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry 72 (19) (2024)
Yu Liu, Ganka Bineva-Todd, Richard W Meek, Laura Mazo, Beatriz Piniello, Olga Moroz, Sean A Burnap, Nadima Begum, André Ohara, Chloe Roustan, Sara Tomita, Svend Kjaer, Karen Marie Polizzi, Weston B Struwe, Carme Rovira, Gideon J Davies, Benjamin Schumann
A Bioorthogonal Precision Tool for Human N -Acetylglucosaminyltransferase V. Journal of the American Chemical Society (2024)
Jorick Franceus, José Pablo Rivas-Fernández, Jolien Lormans, Carme Rovira, Tom Desmet
Evolution of Phosphorylase Activity in an Ancestral Glycosyltransferase. ACS catalysis 14 (5) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry 72 (19) (2024)
Beatriz Piniello, Javier Macías-León, Shun Miyazaki, Ana García-García, Ismael Compañón, Mattia Ghirardello, Víctor Taleb, Billy Veloz, Francisco Corzana, Atsushi Miyagawa, Carme Rovira, Ramon Hurtado Guerrero
Author Correction: Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nature communications 15 (1) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-l-Fucosidases. Journal of agricultural and food chemistry 72 (19) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Correction to "Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-L-Fucosidases". Journal of agricultural and food chemistry 72 (25) (2024)
Tim P Ofman, Jurriaan J A Heming, Alba Nin-Hill, Florian Küllmer, Elisha Moran, Megan Bennett, Roy Steneker, Anne-Mei Klein, Gijs Ruijgrok, Ken Kok, Zach W B Armstrong, Johannes M F G Aerts, Gijsbert A van der Marel, Carme Rovira, Gideon J Davies, Marta Artola, Jeroen D C Codée, Herman S Overkleeft
Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining α-Glucosidase Inhibition. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (31) (2024)
Jorick Franceus, José Pablo Rivas-Fernández, Jolien Lormans, Carme Rovira, Tom Desmet
Evolution of Phosphorylase Activity in an Ancestral Glycosyltransferase. ACS catalysis 14 (5) (2024)
Tim P Ofman, Jurriaan J A Heming, Alba Nin-Hill, Florian Küllmer, Elisha Moran, Megan Bennett, Roy Steneker, Anne-Mei Klein, Gijs Ruijgrok, Ken Kok, Zach W B Armstrong, Johannes M F G Aerts, Gijsbert A van der Marel, Carme Rovira, Gideon J Davies, Marta Artola, Jeroen D C Codée, Herman S Overkleeft
Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining α-Glucosidase Inhibition. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (31) (2024)
Jorick Franceus, José Pablo Rivas-Fernández, Jolien Lormans, Carme Rovira, Tom Desmet
Evolution of Phosphorylase Activity in an Ancestral Glycosyltransferase. ACS catalysis 14 (5) (2024)
Yaya Yang, Albert Thor Thorhallsson, Carme Rovira, Jesper Holck, Anne S Meyer, Huan Yang, Birgitte Zeuner
Correction to "Improved Enzymatic Production of the Fucosylated Human Milk Oligosaccharide LNFP II with GH29B α-1,3/4-L-Fucosidases". Journal of agricultural and food chemistry (2024)
Salila Pengthaisong, Beatriz Piniello, Gideon J Davies, Carme Rovira, James R Ketudat Cairns
Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. ACS catalysis 13 (9) (2023)
Alba Nin-Hill, Beatriz Piniello, Carme Rovira
In silico modelling of the function of disease-related CAZymes. Essays in biochemistry (2023)
Salila Pengthaisong, Beatriz Piniello, Gideon J Davies, Carme Rovira, James R Ketudat Cairns
Reaction Mechanism of Glycoside Hydrolase Family 116 Utilizes Perpendicular Protonation. ACS catalysis 13 (9) (2023)
Valentina Borlandelli, Wendy Offen, Olga Moroz, Alba Nin-Hill, Nicholas McGregor, Lars Binkhorst, Akihiro Ishiwata, Zach W B Armstrong, Marta Artola, Carme Rovira, Gideon J Davies, Herman S Overkleeft
β-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining β-l-Arabinofuranosidases. ACS chemical biology (2023)
Beatriz Piniello, Javier Macías-León, Shun Miyazaki, Ana García-García, Ismael Compañón, Mattia Ghirardello, Víctor Taleb, Billy Veloz, Francisco Corzana, Atsushi Miyagawa, Carme Rovira, Ramon Hurtado Guerrero
Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nature communications 14 (1) (2023)
Martín Calvelo, Alexandra Males, Matthew G Alteen, Lianne I Willems, David J Vocadlo, Gideon J Davies, Carme Rovira
Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics. ACS catalysis 13 (20) (2023)
Alexandra Males, Ken Kok, Alba Nin-Hill, Nicky de Koster, Sija van den Beukel, Thomas J M Beenakker, Gijsbert A van der Marel, Jeroen D C Codée, Johannes M F G Aerts, Herman S Overkleeft, Carme Rovira, Gideon J Davies, Marta Artola
Trans -cyclosulfamidate mannose-configured cyclitol allows isoform-dependent inhibition of GH47 α-d-mannosidases through a bump-hole strategy. Chemical science 14 (46) (2023)
Víctor Taleb, Qinghua Liao, Yoshiki Narimatsu, Ana García-García, Ismael Compañón, Rafael Junqueira Borges, Andrés Manuel González-Ramírez, Francisco Corzana, Henrik Clausen, Carme Rovira, Ramon Hurtado Guerrero
Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut. Nature communications 13 (1) (2022)
Thomas Hansen, Alba Nin-Hill, Jeroen D C Codée, Trevor A Hamlin, Carme Rovira
Rational Tuning of the Reactivity of Three-Membered Heterocycle Ring Openings via S N 2 Reactions. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (60) (2022)
Binju Wang, Xuan Zhang, Wenhan Fang, Carme Rovira, Sason S Shaik
How Do Metalloproteins Tame the Fenton Reaction and Utilize •OH Radicals in Constructive Manners? Accounts of chemical research 55 (16) (2022)
Irene Cuxart, Joan Coines, Oriol Esquivias, Magda Faijes, Antoni Planas, Xevi Biarnés, Carme Rovira
Enzymatic Hydrolysis of Human Milk Oligosaccharides. The Molecular Mechanism of Bifidobacterium Bifidum Lacto- N -biosidase. ACS catalysis 12 (8) (2022)
Alexandre M J Gomila, Gonzalo Pérez-Mejías, Alba Nin-Hill, Alejandra Guerra-Castellano, Laura Casas-Ferrer, Sthefany Ortiz-Tescari, Antonio J Díaz Quintana, Josep Samitier, Carme Rovira, Miguel A De la Rosa, Irene Díaz-Moreno, Pau Gorostiza, Marina Inés Giannotti, Anna Lagunas
Phosphorylation disrupts long-distance electron transport in cytochrome c. Nature communications 13 (1) (2022)
Sukanya Luang, Xavier Fernández-Luengo, Alba Nin-Hill, Victor A Streltsov, Julian G Schwerdt, Santiago Alonso-Gil, James R Ketudat Cairns, Stéphanie Pradeau, Sebastien Fort, Jean-Didier Maréchal, Laura Masgrau, Carme Rovira, Maria Hrmova
The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nature communications 13 (1) (2022)
Joan Coines, Irene Cuxart, David Teze, Carme Rovira
Computer Simulation to Rationalize "Rational" Engineering of Glycoside Hydrolases and Glycosyltransferases. The journal of physical chemistry. B 126 (4) (2022)
Annika J E Borg, Oriol Esquivias, Joan Coines, Carme Rovira, Bernd Nidetzky
Enzymatische C4-Epimerisierung von UDP-Glucuronsäure: präzise gesteuerte Rotation eines transienten 4-Ketointermediats für eine invertierende Reaktion ohne Decarboxylierung. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (4) (2022)
Zhiyong Guo, Lei Wang, Lingqia Su, Sheng Chen, Wei Xia, Isabelle André, Carme Rovira, Binju Wang, Jing Wu
A Single Hydrogen Bond Controls the Selectivity of Transglycosylation vs Hydrolysis in Family 13 Glycoside Hydrolases. The journal of physical chemistry letters 13 (24) (2022)
Annika J E Borg, Oriol Esquivias, Joan Coines, Carme Rovira, Bernd Nidetzky
Enzymatische C4-Epimerisierung von UDP-Glucuronsäure: präzise gesteuerte Rotation eines transienten 4-Ketointermediats für eine invertierende Reaktion ohne Decarboxylierung. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (4) (2022)
Mariana A B Morais, Joan Coines, Mariane N Domingues, Renan A S Pirolla, Celisa C C Tonoli, Camila R Santos, Jessica B L Correa, Fabio César Gozzo, Carme Rovira, Mário Tyago Murakami
Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations. Nature communications 12 (1) (2021)
Alba Nin-Hill, Nicolas Pierre Friedrich Mueller, Carla Molteni, Carme Rovira, Mercedes Alfonso-Prieto
Photopharmacology of Ion Channels through the Light of the Computational Microscope. International journal of molecular sciences 22 (21) (2021)
Beatriz Piniello, Erandi Lira-Navarrete, Hideyuki Takeuchi, Megumi Takeuchi, Robert S Haltiwanger, Ramon Hurtado Guerrero, Carme Rovira
Asparagine Tautomerization in Glycosyltransferase Catalysis. The Molecular Mechanism of Protein O-Fucosyltransferase 1. ACS catalysis 11 (15) (2021)
Nicholas G S McGregor, Joan Coines, Valentina Borlandelli, Satoko Amaki, Marta Artola, Alba Nin-Hill, Daniël Linzel, Chihaya Yamada, Takatoshi Arakawa, Akihiro Ishiwata, Yukishige Ito, Gijsbert A van der Marel, Jeroen D C Codée, Shinya Fushinobu, Herman S Overkleeft, Carme Rovira, Gideon J Davies
Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent β-l-Arabinofuranosidase Inhibitor. Angewandte Chemie (International ed. in English) 60 (11) (2021)
David Teze, Joan Coines, Lluís Raich, Valentina Kalichuk, Claude Solleux, Charles Tellier, Corinne André-Miral, Birte Svensson, Carme Rovira
A Single Point Mutation Converts GH84 O-GlcNAc Hydrolases into Phosphorylases: Experimental and Theoretical Evidence. Journal of the American Chemical Society 142 (5) (2020)
Nicholas G S McGregor, Marta Artola, Alba Nin-Hill, Daniël Linzel, Mireille Haon, Jos Reijngoud, Arthur Ram, Marie-Noëlle Rosso, Gijsbert A van der Marel, Jeroen D C Codée, Gilles P van Wezel, Jean-Guy Berrin, Carme Rovira, Herman S Overkleeft, Gideon J Davies
Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining α-l-Arabinofuranosidases. Journal of the American Chemical Society 142 (10) (2020)
Binju Wang, Zexing Cao, Carme Rovira, Jinshuai Song, Sason S Shaik
Fenton-Derived OH Radicals Enable the MPnS Enzyme to Convert 2-Hydroxyethylphosphonate to Methylphosphonate: Insights from Ab Initio QM/MM MD Simulations. Journal of the American Chemical Society 141 (23) (2019)
Victor A Streltsov, Sukanya Luang, Alys Peisley, Joseph N Varghese, James R Ketudat Cairns, Sebastien Fort, Marcel Hijnen, Igor Tvaroška, Ana Ardá, Jesús Jiménez-Barbero, Mercedes Alfonso-Prieto, Carme Rovira, Fernanda Mendoza, Laura Tiessler-Sala, José-Emilio Sánchez-Aparicio, Jaime Rodríguez-Guerra Pedregal, José M Lluch, Jean-Didier Maréchal, Laura Masgrau, Maria Hrmova
Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site. Nature communications 10 (1) (2019)
Daniel M Chevrier, Lluís Raich, Carme Rovira, Anindita Das, Zhentao Luo, Qiaofeng Yao, Amares Chatt, Jianping Xie, Rongchao Jin, Jaakko Akola, Peng Zhang
Molecular-Scale Ligand Effects in Small Gold-Thiolate Nanoclusters. Journal of the American Chemical Society 140 (45) (2018)
Albert Gandioso, Roger Bresolí-Obach, Alba Nin-Hill, Manel Bosch, Marta Palau, Alex Galindo, Sara Contreras, Anna Rovira, Carme Rovira, Santi Nonell, Vicente Marchán
Redesigning the Coumarin Scaffold into Small Bright Fluorophores with Far-Red to Near-Infrared Emission and Large Stokes Shifts Useful for Cell Imaging. The Journal of organic chemistry 83 (3) (2018)
Víctor Rojas-Cervellera, Lluís Raich, Jaakko Akola, Carme Rovira
The molecular mechanism of the ligand exchange reaction of an antibody against a glutathione-coated gold cluster. Nanoscale 9 (9) (2018)
Binju Wang, Ignacio Fita, Carme Rovira
Theory Uncovers the Role of the Methionine-Tyrosine-Tryptophan Radical Adduct in the Catalase Reaction of KatGs: O2 Release Mediated by Proton-Coupled Electron Transfer. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2018)
Joan Coines, Mercedes Alfonso-Prieto, Xevi Biarnés, Antoni Planas, Carme Rovira
Oxazoline or Oxazolinium Ion? The Protonation State and Conformation of the Reaction Intermediate of Chitinase Enzymes Revisited. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (72) (2018)
Anna Lagunas, Alejandra Guerra-Castellano, Alba Nin-Hill, Irene Díaz-Moreno, Miguel A De la Rosa, Josep Samitier, Carme Rovira, Pau Gorostiza
Long distance electron transfer through the aqueous solution between redox partner proteins. Nature communications 9 (1) (2018)
Marija Petricevic, Lukasz F Sobala, Pearl Z Fernandes, Lluís Raich, Andrew J Thompson, Ganeko Bernardo-Seisdedos, Oscar Millet, Sha Zhu, Matthieu Sollogoub, Jesús Jiménez-Barbero, Carme Rovira, Gideon J Davies, Spencer J Williams
Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-α-1,2-Mannanase. Journal of the American Chemical Society 139 (3) (2017)
Albert Gandioso, Marta Palau, Alba Nin-Hill, Ivanna Melnyk, Carme Rovira, Santi Nonell, Dolores Velasco, Jaume García-Amorós, Vicente Marchán
Sequential Uncaging with Green Light can be Achieved by Fine-Tuning the Structure of a Dicyanocoumarin Chromophore. ChemistryOpen 6 (3) (2017)
Santiago Alonso-Gil, Alexandra Males, Pearl Z Fernandes, Spencer J Williams, Gideon J Davies, Carme Rovira
Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 α-Mannosidases. Journal of the American Chemical Society 139 (3) (2017)
Alexandra Males, Lluís Raich, Spencer J Williams, Carme Rovira, Gideon J Davies
Conformational Analysis of the Mannosidase Inhibitor Kifunensine: A Quantum Mechanical and Structural Approach. Chembiochem : a European journal of chemical biology 18 (15) (2017)
Thomas J M Beenakker, Dennis P A Wander, Wendy A Offen, Marta Artola, Lluís Raich, Maria J Ferraz, Kah-Yee Li, Judith H P M Houben, Erwin R van Rijssel, Thomas Hansen, Gijsbert A van der Marel, Jeroen D C Codée, Johannes M F G Aerts, Carme Rovira, Gideon J Davies, Herman S Overkleeft
Carba-cyclophellitols Are Neutral Retaining-Glucosidase Inhibitors. Journal of the American Chemical Society 139 (19) (2017)
Miguel Machuqueiro, Bruno Victor, Jacek Switala, Jacylyn Villanueva, Carme Rovira, Ignacio Fita, Peter C Loewen
The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine. Biochemistry 56 (17) (2017)
Montse Tersa, Lluís Raich, David Albesa-Jové, Beatriz Trastoy, Jacques Prandi, Martine Gilleron, Carme Rovira, Marcelo E Guerin
The Molecular Mechanism of Substrate Recognition and Catalysis of the Membrane Acyltransferase PatA from Mycobacteria. ACS chemical biology 13 (1) (2017)
Tyson Belz, Yi Jin, Joan Coines, Carme Rovira, Gideon J Davies, Spencer J Williams
An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor. Chemical communications (Cambridge, England) 53 (66) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Carme Rovira