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

[Image: see text] 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 rotamer libraries, combinatorial searches, and scoring functio...

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Detalles Bibliográficos
Autores principales: Hameduh, Tareq, Mokry, Michal, Miller, Andrew D., Heger, Zbynek, Haddad, Yazan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10369486/
https://www.ncbi.nlm.nih.gov/pubmed/37410883
http://dx.doi.org/10.1021/acs.jcim.3c00134

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10369486/
https://www.ncbi.nlm.nih.gov/pubmed/37410883
http://dx.doi.org/10.1021/acs.jcim.3c00134

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