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MKS developed the software infrastructure, test, and install environment.
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CW, MKS, TH, BEH, SO, and FN wrote the manuscript.
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For a more detailed description of author contributions, see the GitHub issue tracking and changelog at \githubrepository{}.
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For a more detailed description of author contributions,
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see the GitHub issue tracking and changelog at \githubrepository.
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\section{Other Contributions}
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We are grateful to Nuria Plattner for providing the pentapeptide simulation data and Camilla Ventura Santos as well as the entire computational molecular biology group for valuable discussion and feedback.
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For a more detailed description of contributions from the community and others, see the GitHub issue tracking and changelog at \githubrepository{}.
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For a more detailed description of contributions from the community and others,
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see the GitHub issue tracking and changelog at \githubrepository.
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