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

Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs" This supplement includes the following files: Main_v02.R --- Script in R language to process files (in "PDBs.zip") and produce the dataset ("Dataset_v02.csv") PDBs.zip --- PDB files include filtered structures processed by three programs Dataset_v02.csv --- final filtered version of dataset produced in R language (by "Main_v02.R"). Dataset key.txt --- key to column names in Dataset_v02.csv The article featuring this dataset is published in: Journal: Journal of Chemical Information and ModelingTitle: "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 https://pubs.acs.org/doi/10.1021/acs.jcim.3c00134