Optimizing peptide inhibitors of SARS-Cov-2 nsp10/nsp16 methyltransferase predicted through molecular simulation and machine learning

Optimizing peptide inhibitors of SARS-Cov-2 nsp10/nsp16 methyltransferase predicted through molecular simulation and machine learning

Coronaviruses, including the recent pandemic strain SARS-Cov-2, use a multifunctional 2′-O-methyltransferase (2′-O-MTase) to restrict the host defense mechanism and to methylate RNA. The nonstructural protein 16 2′-O-MTase (nsp16) becomes active when nonstructural protein 10 (nsp10) and nsp16 intera...

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Bibliographic Details
Main Authors: John R. Hamre, III, M. Saleet Jafri
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Informatics in Medicine Unlocked
Subjects:
Covid-19
Anti-microbial peptide
Antiviral peptide
Prediction
Machine learning
Molecular simulation
Online Access:http://www.sciencedirect.com/science/article/pii/S2352914822000399

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http://www.sciencedirect.com/science/article/pii/S2352914822000399

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