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Supplemental Information

Figures of protein structures discussed in the main text and example phaistos settings

DOI: 10.7287/peerj.preprints.692v1/supp-1

Native pdb and str (chemical shift) files used in the simulations

DOI: 10.7287/peerj.preprints.692v1/supp-2

Subset of sampled structures in pdb format, compressed in zip and subfolders in 7zip

DOI: 10.7287/peerj.preprints.692v1/supp-3

Additional Information

Competing Interests

The authors declare they have no competing interests.

Author Contributions

Lars A Bratholm 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.

Anders Steen Christensen 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.

Thomas Hamelryck conceived and designed the experiments, contributed reagents/materials/analysis tools, reviewed drafts of the paper.

Jan H Jensen conceived and designed the experiments, contributed reagents/materials/analysis tools, wrote the paper, reviewed drafts of the paper.

Funding

Anders S. Christensen is funded by the Novo Nordisk STAR program. Lars A. Bratholm is funded by the Lundbeck Foundation. Thomas Hamelryck was supported by the University of Copenhagen 2016 Excellence Programme for Interdisciplinary Research (UCPH2016-DSIN). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.


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