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Supplemental Information

Docking score and reanking for selected molecules

Docking Scores and ranking for selected compounds

DOI: 10.7287/peerj.preprints.1919v1/supp-1

RMSD Variation in MD simulation

RMSD Variation in MD simulation of PDI alone and in complex with Rutin

DOI: 10.7287/peerj.preprints.1919v1/supp-2

Additional Information

Competing Interests

The authors declare that they have no competing interests.

Author Contributions

Noureddine Ben Khalaf conceived and designed the experiments, performed the experiments, analyzed the data, contributed reagents/materials/analysis tools, wrote the paper, prepared figures and/or tables, reviewed drafts of the paper.

Moiz Bakhiet conceived and designed the experiments, analyzed the data, contributed reagents/materials/analysis tools, reviewed drafts of the paper.

Data Deposition

The following information was supplied regarding data availability:

The raw data has been supplied as a Supplemental Dataset

Funding

Funding was provided by the Arabian Gulf University (Internal Research Grant). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.


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