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

<p><strong>Supplements for "Solvent Accessibility Promotes Rotamer Errors During Protein Modelling with Major Side-Chain Prediction Programs"</strong></p> <p>This supplement includes the following files:</p> <ul> <li>Main_v02.R --- Script in R language to process files (in "PDBs.zip") and produce the dataset&nbsp;("Dataset_v02.csv")</li> <li>PDBs.zip --- PDB files include filtered structures processed by three programs</li> <li>Dataset_v02.csv --- final filtered version&nbsp;of dataset produced in R language (by "Main_v02.R").&nbsp; &nbsp;</li> <li>Dataset key.txt --- key to column names in Dataset_v02.csv&nbsp; &nbsp; &nbsp;</li> </ul> <p>The article featuring this dataset is published in:</p> <p>Journal: &nbsp;Journal of Chemical Information and Modeling<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 &nbsp;; Heger, Zbynek; Haddad, Yazan</p> <p><a href="https://emea01.safelinks.protection.outlook.com/?url=https%3A%2F%2Fpubs.acs.org%2Fdoi%2F10.1021%2Facs.jcim.3c00134&amp;data=05%7C01%7C%7C4876a5c33e5f4bd8daf008db7e55a28d%7C84df9e7fe9f640afb435aaaaaaaaaaaa%7C1%7C0%7C638242678496577396%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000%7C%7C%7C&amp;sdata=NE%2F0dYvc4m5%2B8T0YQtqxY21yk1pA9ZpiADqzx3vEJ4Q%3D&amp;reserved=0">https://pubs.acs.org/doi/10.1021/acs.jcim.3c00134</a></p> <p>&nbsp;&nbsp; &nbsp;&nbsp;&nbsp; &nbsp;</p>