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2020 February 1

Structural Characterization of Protein-Protein Interactions with pyDockSAXS

Associated Division: Drug Discovery

Technique/Tool: PPI

https://doi.org/10.1007/978-1-0716-0270-6_10

2019 December 16

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

Associated Division: Enzyme engineering

https://doi.org/10.1038/s41929-019-0394-4

2019 December 15

VeriNA3d: an R package for nucleic acids data mining

Associated Division: Nucleic Acids, NBD Suite

Technique/Tool: Software Development

https://doi.org/10.1093/bioinformatics/btz553

2019 December 1

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

Associated Division: Enzyme engineering

Related technologies: Enzyme profiling

https://doi.org/10.1016/j.ijbiomac.2019.09.052

2019 November 30

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

Associated Division: Drug Discovery

Technique/Tool: PPI

https://doi.org/10.1002/prot.25858

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

Associated Division: Drug Discovery

https://doi.org/10.1038/s41598-019-52319-x

2019 November 12

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

Associated Division: NBD Suite

https://doi.org/10.1021/acs.jctc.9b00753

2019 October 30

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

Associated Division: Enzyme engineering

https://doi.org/10.1016/j.bbapap.2019.140293

2019 September 10

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

Associated Division: Drug Discovery, NBD Suite

Technique/Tool: Software Development

https://doi.org/10.1038/s41597-019-0177-4

2019 September 3

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

Associated Division: Enzyme engineering

https://doi.org/10.1039/C9GC02475A
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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