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αCharges: partial atomic charges for AlphaFold structures in high quality

The AlphaFold2 prediction algorithm opened up the possibility of exploring proteins’ structural space at an unprecedented scale. Currently, >200 million protein structures predicted by this approach are deposited in AlphaFoldDB, covering entire proteomes of multiple organisms, including humans. P...

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Detalles Bibliográficos
Autores principales: Schindler, Ondřej, Berka, Karel, Cantara, Alessio, Křenek, Aleš, Tichý, Dominik, Raček, Tomáš, Svobodová, Radka
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Oxford University Press 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10320090/
https://www.ncbi.nlm.nih.gov/pubmed/37158246
http://dx.doi.org/10.1093/nar/gkad349