Publications

2020 February 1

Structural Characterization of Protein-Protein Interactions with pyDockSAXS

2019 December 16

Plurizymes: Genetically Engineered Proteins With Two Active Sites For Enhanced Biocatalysis And Synergistic Chemo- And Biocatalysis

2019 December 15

VeriNA3d: an R package for nucleic acids data mining

2019 December 1

Structural and biochemical insights into an engineered high-redox potential laccase overproduced in Aspergillus

2019 November 30

Integrative modeling of protein-protein interactions with pyDock for the new docking challenges

2019 November 21

Atomistic Simulations Shed New Light On The Activation Mechanisms Of RORγ And Classify It As Type III Nuclear Hormone Receptor Regarding Ligand-Binding Paths

2019 November 12

MSM-PELE: A Monte Carlo Based Protocol for the Estimation of Absolute Binding Free Energies

2019 October 30

Sequential oxidation of 5-hydroxymethylfurfural to furan-2,5-dicarboxylic acid by an evolved aryl-alcohol oxidase

2019 September 10

BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows

2019 September 3

Engineering Of A Fungal Laccase To Develop A Robust, Versatile And Highly-Expressed Biocatalyst For Sustainable Chemistry

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Antibodies Antigens Docking Drug Repurposing Enzyme Directed Evolution Enzyme profiling Induced fit MD MM/QM Molecular Dynamics PELE PELE-DNA/RNA Peptides PPI RNA Software Development Target Profiling