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Prediction of protein pK(a) with representation learning

The behavior of proteins is closely related to the protonation states of the residues. Therefore, prediction and measurement of pK(a) are essential to understand the basic functions of proteins. In this work, we develop a new empirical scheme for protein pK(a) prediction that is based on deep repres...

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Detalles Bibliográficos
Autores principales: Gokcan, Hatice, Isayev, Olexandr
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8864681/
https://www.ncbi.nlm.nih.gov/pubmed/35310485
http://dx.doi.org/10.1039/d1sc05610g