Computational design of industrial enzymes for green chemistry

Project Information

GREENZYME

Grant agreement ID: 101112805

DOI

10.3030/101112805

Project closed

EC signature date 24 February 2023

Start date 1 May 2023

End date 31 October 2024

Funded under

• European Research Council (ERC)

Total cost

No data

EU contribution

€ 150 000,00

Coordinated by

UNIVERSITAT DE GIRONA
Spain

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (8)

Interplay Between Substrate Polarity and Protein Dynamics in Evolved Kemp Eliminases

Author(s): Francesca Peccati, Elizabeth L. Noey, K. N. Houk, Silvia Osuna, Gonzalo Jiménez‐Osés
Published in: ChemCatChem, 2024, ISSN 1867-3880
Publisher: Wiley
DOI: 10.1002/cctc.202400444

Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary <i>In Silico</i> Approaches Based on Unbiased Molecular Dynamics Simulations

Author(s): Matteo Castelli, Filippo Marchetti, Sílvia Osuna, A. Sofia F. Oliveira, Adrian J. Mulholland, Stefano A. Serapian, Giorgio Colombo
Published in: Journal of the American Chemical Society, Issue 146, 2023, ISSN 0002-7863
Publisher: American Chemical Society (ACS)
DOI: 10.1021/jacs.3c11396

The shortest path method (SPM) webserver for computational enzyme design

Author(s): Guillem Casadevall, Jordi Casadevall, Cristina Duran, Sílvia Osuna
Published in: Protein Engineering, Design and Selection, Issue 37, 2024, ISSN 1741-0126
Publisher: Oxford University Press (OUP)
DOI: 10.1093/protein/gzae005

Angewandte Chemie - International Edition

Author(s): Ludwig, Julian; Curado-Carballada, Christian; Hammer, Stephan; Schneider, Andreas; Diether, Svenja; Kress, Nico; Ruiz-Barragán, Sergi; Osuna, Silvia; Hauer, Bernhard
Published in: instname:Universitat Politècnica de Catalunya (UPC), 2024, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/ange.202318913

Exohedral Diels‐Alder Reactivity of Endohedral Metallofullerene C₃₆

Author(s): Athul Santha Bhaskaran, Dani Romero del Blanco, Adrià Romero‐Rivera, Sílvia Osuna, Marcel Swart
Published in: Chemistry – A European Journal, Issue 30, 2024, ISSN 0947-6539
Publisher: Wiley
DOI: 10.1002/chem.202401568

Fatty acid synthase (<scp>FASN</scp>) signalome: A molecular guide for precision oncology

Author(s): Javier A. Menendez, Elisabet Cuyàs, Jose Antonio Encinar, Travis Vander Steen, Sara Verdura, Àngela Llop‐Hernández, Júlia López, Eila Serrano‐Hervás, Sílvia Osuna, Begoña Martin‐Castillo, Ruth Lupu
Published in: Molecular Oncology, Issue 18, 2024, ISSN 1574-7891
Publisher: Wiley
DOI: 10.1002/1878-0261.13582

Retracing the Rapid Evolution of an Herbicide-Degrading Enzyme by Protein Engineering

Author(s): Markus R. Busch, Lukas Drexler, Dhani Ram Mahato, Caroline Hiefinger, Sílvia Osuna, Reinhard Sterner
Published in: ACS Catalysis, Issue 13, 2023, ISSN 2155-5435
Publisher: American Chemical Society (ACS)
DOI: 10.1021/ACSCATAL.3C04010

Harnessing conformational dynamics in enzyme catalysis to achieve nature-like catalytic efficiencies: the shortest path map tool for computational enzyme redesign

Author(s): Cristina Duran, Guillem Casadevall, Sílvia Osuna
Published in: Faraday Discussions, Issue 252, 2024, ISSN 1359-6640
Publisher: Royal Society of Chemistry (RSC)
DOI: 10.1039/D3FD00156C