Evolving enzymes onebyte at a time


We are continuously innovating and are involved in high-impact R&D projects with international universities, research centers and companies

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Scientific Publications

We are committed to expanding the use of computer simulations for discovery and optimization of new biocatalysts

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The IDEA-PS project aims to develop a new computational platform capable of identifying enzyme inhibitors in complex formulations used in chemical industry. The software will allow us to make more effective formulations that will save resources, energy and water.

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Reference: 3412C2V7T-1
Start-End Date: 1 October 2021 - 31 October 2023
Grant Amount: 135.961,90€
Project Name: IDEA-PS





Funded by the European Commission, the BioInspireSensing project is a trans-national network for training PhD students in investigating, building, and producing a new generation of bioinspired implantable sensors of pressure, temperature and acidity. New devices will be made of complex hybrid materials, composed of natural molecules and synthetic biopolymers, with the additional properties of being fully biocompatible and bioresorbable.

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Reference: 955643
Start-End Date: 1 January 2021 - 31 December 2024
Grant Amount: 2,856,013€
Consortium: Polytechnic University of Catalonia (coordinator), University of Teramo, University of Warsaw, 4Dcell SAS, University of Groningen, VIB-KU Leuven, University of Lausanne, ZYMVOL BIOMODELING SL.





Funded by European Commission, project goals are to keep improving the technology with artificial intelligence approaches, to develop a computational pipeline for enzyme kits and to develop proprietary enzymes.

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Reference: 873593
Start-End Date: 1 October 2019 - 30 September 2021
Grant Amount: 1,301,000€
Project Name: UNLOCK-EDD: UNLOCKing next generation computer-guided Enzyme Discovery and Design.


Funded by Bio-Based Industries Joint Undertaking (BBI JU) and the Bio-based Industries Consortium (BIC) the project goal is to develop innovative ways of transforming biomass into added-value bio-aromatics, providing solutions to decouple our economy from fossil feedstocks.

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Reference: 837890
Start-End Date: 1 May 2019- 30 April 2023
Grant amount: 3,900,000€
Project name: SMARTBOX
Consortium: Bio Base Europe Pilot Plant, Rijksuniversiteit Groningen, Universidade Nova de Lisboa, Universita degli studi di Pavia, Katholieke Universiteit Leuven, Ava Biochem, B4plastics, CovestroBorregaard, Quantis, ZYMVOL BIOMODELING SL.


Funded by European Commission, project goals address current limitations in lignin degradation by generating technological and economical solutions inspired by fundamental research. The project provides a holistic view for the development of biocatalytic processes involved in the valorisation of lignin.

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Reference: 824017
Start-End Date: 1 February 2019- 31 January 2023
Grant amount: 970,000€
Project name: B-ligZymes
Consortium: Universidade Nova de Lisboa, Rijksuniversiteit Groningen, Universita degli studi di Roma Torvegata, Technische Universitaet Braunschweig, MetGen, Inquimae, North Carolina State University, ZYMVOL BIOMODELING SL.


Funded by Torres Quevedo program from Spanish Ministry of Science and Innovation, the project goal is to investigate and define at the atomic level, the functioning of PETases enzymes, through a specialized software, ZYMEVOLVER. This information will be essential to optimize, in a controlled way, these enzymes in the multiple processes where they can be applied.


Reference: PTQ2018-009837
Start-End Date: 1 November 2019 – 2 May 2022
Grant amount: 111.720€
Project name: Investigación, caracterización y diseño de nuevas enzimas con aplicaciones en la degradación de plásticos no biodegradables.
Collaboration: Massachusetts Institute of Technology (MIT).

Past projects

Scientific Publications

*Most relevant

  1. Survey of Current Commercial Enzyme and Bioprocess Service Providers, 2020 – Book Chapter
  2. The Methionine-Rich Loop of Multicooper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis, 2020 – ACSCat
  3. *Enhancing thermostability by modifying flexible surface loops in an evolved high‐redox potential laccase, 2019 – AIChE
  4. *Increasing redox potential, redox mediator activity, and stability in a fungal laccase by computer-guided mutagenesis and directed evolution, 2019 – ACSCat
  5. Kauniolide synthase is a P450 with unusual hydroxylation and cyclization-elimination activity, 2018 – NatComm
  6. The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths, 2017 – PLOSCompBio
  7. *Oxidoreductases on their way to industrial biotransformations, 2017 – BioAdv
  8. *Molecular Modeling in Enzyme Design, Toward In Silico Guided Directed Evolution, 2017- Book chapter
  9. *Repurposing designed mutants: a valuable strategy for computer-aided laccase engineering – the case of POXA1b, 2017 – CatSciTech
  10. Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases, 2017 – JPCB
  11. *Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design, 2017 – JCTC
  12. Probing the Surface of a Laccase for Clues towards the Design of Chemo‐Enzymatic Catalysts, 2017 – ChemPlusChem
  13. *Re-designing the substrate binding pocket of laccase for enhanced oxidation of sinapic acid, 2016 – CatSciTech
  14. Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase, 2016 – CatSciTech
  15. *Computer-Aided Laccase Engineering: Toward Biological Oxidation of Arylamines, 2016 – ACSCat
  16. Rational Enzyme Engineering Through Biophysical and Biochemical Modeling, 2016 – ACSCat
  17. Synthesis of 1-Naphthol by a Natural Peroxygenase engineered by Directed Evolution, 2016 – CBC
  18. Molecular determinants for selective C25-hydroxylation of vitamins D2 and D3 by fungal peroxygenases, 2016 – CatSciTech
  19. **Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy, 2015 – JPClett
  20. Steroid hydroxylation by basidiomycete peroxygenases: A combined experimental and computational study, 2015 – AEM
  21. Atomic Picture of Ligand Migration in Toluene 4-Monooxygenase, 2014 – JPCB

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