Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"
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https://zenodo.org/record/7575846
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资源简介：
Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"
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
Manuscript ID: ci-2023-00134a
Title: "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"
Author(s): Hameduh, Tareq; Mokry, Michal ; Miller, Andrew ; Heger, Zbynek; Haddad, Yazan
创建时间：
2023-07-07
