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Ligand Accessibility Insights to the Dengue Virus NS3‐NS2B Protease Assessed by Long‐Timescale Molecular Dynamics Simulations

Dengue is a tropical disease caused by the dengue virus (DENV), with an estimate of 300 million new cases every year. Due to the limited vaccine efficiency and absence of effective antiviral treatment, new drug candidates are urgently needed. DENV NS3‐NS2B protease complex is essential for viral pos...

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Detalles Bibliográficos
Autores principales: Kronenberger, Thales, Sá Magalhães Serafim, Mateus, Kumar Tonduru, Arun, Gonçalves Maltarollo, Vinícius, Poso, Antti
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8453957/
https://www.ncbi.nlm.nih.gov/pubmed/33899341
http://dx.doi.org/10.1002/cmdc.202100246