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Virtual Screening of FDA-Approved Drugs for Enhanced Binding with Mitochondrial Aldehyde Dehydrogenase

Mitochondrial aldehyde dehydrogenase (ALDH2) is a potential target for the treatment of substance use disorders such as alcohol addiction. Here, we adopted computational methods of molecular dynamics (MD) simulation, docking, and molecular mechanics Poisson–Boltzmann surface area (MM-PBSA) analysis...

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Detalles Bibliográficos
Autores principales:	Zhou, Boqian, Zhang, Yongguang, Jiang, Wanyun, Zhang, Haiyang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9781114/ https://www.ncbi.nlm.nih.gov/pubmed/36557906 http://dx.doi.org/10.3390/molecules27248773

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