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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 ("Dat...

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Bibliographic Details
Main Authors: Hameduh, Tareq, Mokry, Michal, Miller, Andrew D., Heger, Zbynek, Haddad, Yazan
Format: Dataset
Language:English
Online Access:Get full text
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Summary: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         
ISSN:1549-960X
DOI:10.1021/acs.jcim.3c00134