Biocatalystsmadeeasier

Evolving enzymes onebyte at a time

Projects

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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Projects

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Past projects

Scientific Publications

*Most relevant

  1. Enzyme immobilization studied through molecular dynamic simulations, 2023 – Frontiers in Bioengineering and Biotechnology
  2. Towards design of drugs and delivery systems with the Martini coarse-grained model, 2022 – QRB Discovery
  3. Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound, 2022 – Nature Communications
  4. Rational-Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin, 2022 – Biochemistry
  5. Unveiling Molecular Details behind Improved Activity at Neutral to Alkaline pH of an Engineered DyP-type Peroxidase, 2022-CSBJ
  6. Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase, 2022-ACSCatal
  7. Computational Enzyme Design at Zymvol, 2022 – Enzyme Engineering
  8. Survey of Current Commercial Enzyme and Bioprocess Service Providers, 2020 – AppBio
  9. The Methionine-Rich Loop of Multicooper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis, 2020 – ACSCat
  10. *Enhancing thermostability by modifying flexible surface loops in an evolved high‐redox potential laccase, 2019 – AIChE
  11. *Increasing redox potential, redox mediator activity, and stability in a fungal laccase by computer-guided mutagenesis and directed evolution, 2019 – ACSCat
  12. Kauniolide synthase is a P450 with unusual hydroxylation and cyclization-elimination activity, 2018 – NatComm
  13. The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths, 2017 – PLOSCompBio
  14. *Oxidoreductases on their way to industrial biotransformations, 2017 – BioAdv
  15. *Molecular Modeling in Enzyme Design, Toward In Silico Guided Directed Evolution, 2017- Book chapter
  16. *Repurposing designed mutants: a valuable strategy for computer-aided laccase engineering – the case of POXA1b, 2017 – CatSciTech
  17. Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases, 2017 – JPCB
  18. *Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design, 2017 – JCTC
  19. Probing the Surface of a Laccase for Clues towards the Design of Chemo‐Enzymatic Catalysts, 2017 – ChemPlusChem
  20. *Re-designing the substrate binding pocket of laccase for enhanced oxidation of sinapic acid, 2016 – CatSciTech
  21. Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase, 2016 – CatSciTech
  22. *Computer-Aided Laccase Engineering: Toward Biological Oxidation of Arylamines, 2016 – ACSCat
  23. Rational Enzyme Engineering Through Biophysical and Biochemical Modeling, 2016 – ACSCat
  24. Synthesis of 1-Naphthol by a Natural Peroxygenase engineered by Directed Evolution, 2016 – CBC
  25. Molecular determinants for selective C25-hydroxylation of vitamins D2 and D3 by fungal peroxygenases, 2016 – CatSciTech
  26. **Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy, 2015 – JPClett
  27. Steroid hydroxylation by basidiomycete peroxygenases: A combined experimental and computational study, 2015 – AEM
  28. Atomic Picture of Ligand Migration in Toluene 4-Monooxygenase, 2014 – JPCB

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