Browsing by Subject "protein structure"

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Solvent Accessibility Promotes Rotamer Errors during Protein Modeling with Major Side-Chain Prediction Programs

Yakoub Hassan Hameduh, Tareq; Mokrý, Michal; Miller, Andrew David; Heger, Zbyněk; Haddad, Yazan Abdulmajeed Eyadh (American Chemical Society, 2023)

Side-chain rotamer prediction is one of the most critical late stages in protein 3D structure building. Highly advanced and specialized algorithms (e.g., FASPR, RASP, SCWRL4, and SCWRL4v) optimize this process by use of ...