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Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

We show that machine learning can pinpoint features distinguishing inactive from active states in proteins, in particular identifying key ligand binding site flexibility transitions in GPCRs that are triggered by biologically active ligands. Our analysis was performed on the helical segments and loo...

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Detalhes bibliográficos
Publicado no:Biomolecules
Main Authors: Bemister-Buffington, Joseph, Wolf, Alex J., Raschka, Sebastian, Kuhn, Leslie A.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7175283/
https://ncbi.nlm.nih.gov/pubmed/32183371
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biom10030454
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