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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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Bibliografske podrobnosti
izdano v:Biomolecules
Main Authors: Bemister-Buffington, Joseph, Wolf, Alex J., Raschka, Sebastian, Kuhn, Leslie A.
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2020
Teme:
Online dostop: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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