Published December 19, 2024 | Version v2
Dataset Open

Supplementary data for: "Unraveling the Molecular mechanism of Polysaccharide Lyases for Efficient Alginate Degradation"

Authors/Creators

  • 1. Departament de Química Inorgànica i Orgànica (Secció de Química Orgànica) and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Martí i Franquès 1, 08028 Barcelona, Spain
  • 2. Section for Protein Chemistry and Enzyme Technology, Department of Biotechnology and Biomedicine, Technical University of Denmark, Søltofts Plads, Building 224, DK-2800 Kgs. Lyngby, Denmark
  • 3. Norwegian Biopolymer Laboratory (NOBIPOL), Department of Biotechnology and Food Sciences, NTNU Norwegian University of Science and Technology, Sem Sælands vei 6/8, 7491 Trondheim, Norway
  • 4. Novo Nordisk Foundation Center for Biosustainability, Technical University of Denmark, Kemitorvet, Building 220, DK-2800 Kgs. Lyngby, Denmark
  • 5. Department of Molecular and Structural Biochemistry, North Carolina State University, Raleigh, NC 27695, USA
  • 6. ROR icon Institució Catalana de Recerca i Estudis Avançats
  • 7. ROR icon Novo Nordisk (Denmark)

Description

This dataset comprises computational data associated with the research article titled "Unraveling the Molecular mechanism of Polysaccharide Lyases for Efficient Alginate Degradation". Included are trajectory files generated from molecular dynamics simulations, along with all extracted data utilized in the study.

Files

simulation_files.zip

Files (303.0 MB)

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md5:9555aa3d19f63f8bcb0b6e2843211bb2
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