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Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"

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Zenodo2024-07-11 更新2026-05-26 收录
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<strong>Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"</strong> This supplement includes the following files: Main.R --- Script in R language to process files (in "pdb.zip") and produce the datasets ("Datasets.zip") functions.zip --- supplementary functions to the R script (in "Main.R") pdb.zip --- PDB files include filtered structures processed by three programs Datasets.zip --- Three versions of dataset produced in R language (by "Main.R"). The first two versions may contain unfiltered structures The article featuring this dataset is submitted to: Journal: Journal of Chemical Information and Modeling<br> Manuscript ID: ci-2023-00134a<br> Title: "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"<br> Author(s): Hameduh, Tareq; Mokry, Michal ; Miller, Andrew ; Heger, Zbynek; Haddad, Yazan

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2023-01-27
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