Evaluating the accuracy of the AMBER protein force fields in modeling dihydrofolate reductase structures: misbalance in the conformational arrangements of the flexible loop domains

Protein flexible loop regions were once thought to be simple linkers between other more functional secondary structural elements. However, as it becomes clearer that these loop domains are critical players in a plethora of biological processes, accurate conformational sampling of 3D loop structures...

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Detalles Bibliográficos
Autores principales: Love, Olivia, Lima, Maria Carolina Pacheco, Clark, Casey, Cornillie, Sean, Roalstad, Shelly, Cheatham, Thomas E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9840716/
https://www.ncbi.nlm.nih.gov/pubmed/35838167
http://dx.doi.org/10.1080/07391102.2022.2098823

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9840716/
https://www.ncbi.nlm.nih.gov/pubmed/35838167
http://dx.doi.org/10.1080/07391102.2022.2098823

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