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
Scientific Publications
We are committed to expanding the use of computer simulations for discovery and optimization of new biocatalysts
Scientific Publications
*Most relevant
- Enzyme immobilization studied through molecular dynamic simulations, 2023 – Frontiers in Bioengineering and Biotechnology
- Towards design of drugs and delivery systems with the Martini coarse-grained model, 2022 – QRB Discovery
- Structure- and computational-aided engineering of an oxidase to produce isoeugenol from a lignin-derived compound, 2022 – Nature Communications
- Rational-Guided Improvement of NOV1 Dioxygenase for the Conversion of Lignin-Derived Isoeugenol to Vanillin, 2022 – Biochemistry
- Unveiling Molecular Details behind Improved Activity at Neutral to Alkaline pH of an Engineered DyP-type Peroxidase, 2022-CSBJ
- Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase, 2022-ACSCatal
- Computational Enzyme Design at Zymvol, 2022 – Enzyme Engineering
- Survey of Current Commercial Enzyme and Bioprocess Service Providers, 2020 – AppBio
- The Methionine-Rich Loop of Multicooper Oxidase McoA follows Open-To-Close Transitions with a Role in Enzyme Catalysis, 2020 – ACSCat
- *Enhancing thermostability by modifying flexible surface loops in an evolved high‐redox potential laccase, 2019 – AIChE
- *Increasing redox potential, redox mediator activity, and stability in a fungal laccase by computer-guided mutagenesis and directed evolution, 2019 – ACSCat
- Kauniolide synthase is a P450 with unusual hydroxylation and cyclization-elimination activity, 2018 – NatComm
- The ins and outs of vanillyl alcohol oxidase: Identification of ligand migration paths, 2017 – PLOSCompBio
- *Oxidoreductases on their way to industrial biotransformations, 2017 – BioAdv
- *Molecular Modeling in Enzyme Design, Toward In Silico Guided Directed Evolution, 2017- Book chapter
- *Repurposing designed mutants: a valuable strategy for computer-aided laccase engineering – the case of POXA1b, 2017 – CatSciTech
- Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases, 2017 – JPCB
- *Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design, 2017 – JCTC
- Probing the Surface of a Laccase for Clues towards the Design of Chemo‐Enzymatic Catalysts, 2017 – ChemPlusChem
- *Re-designing the substrate binding pocket of laccase for enhanced oxidation of sinapic acid, 2016 – CatSciTech
- Asymmetric sulfoxidation by engineering the heme pocket of a dye-decolorizing peroxidase, 2016 – CatSciTech
- *Computer-Aided Laccase Engineering: Toward Biological Oxidation of Arylamines, 2016 – ACSCat
- Rational Enzyme Engineering Through Biophysical and Biochemical Modeling, 2016 – ACSCat
- Synthesis of 1-Naphthol by a Natural Peroxygenase engineered by Directed Evolution, 2016 – CBC
- Molecular determinants for selective C25-hydroxylation of vitamins D2 and D3 by fungal peroxygenases, 2016 – CatSciTech
- **Insights into Laccase Engineering from Molecular Simulations: Toward a Binding-Focused Strategy, 2015 – JPClett
- Steroid hydroxylation by basidiomycete peroxygenases: A combined experimental and computational study, 2015 – AEM
- Atomic Picture of Ligand Migration in Toluene 4-Monooxygenase, 2014 – JPCB
R&D Alumni
Case Studies
Nothing found.