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Binding Free Energy (BFE) Calculations and Quantitative Structure–Activity Relationship (QSAR) Analysis of Schistosoma mansoni Histone Deacetylase 8 (smHDAC8) Inhibitors

Histone-modifying proteins have been identified as promising targets to treat several diseases including cancer and parasitic ailments. In silico methods have been incorporated within a variety of drug discovery programs to facilitate the identification and development of novel lead compounds. In th...

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Detalles Bibliográficos
Autores principales:	Simoben, Conrad V., Ghazy, Ehab, Zeyen, Patrik, Darwish, Salma, Schmidt, Matthias, Romier, Christophe, Robaa, Dina, Sippl, Wolfgang
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8125515/ https://www.ncbi.nlm.nih.gov/pubmed/33925246 http://dx.doi.org/10.3390/molecules26092584

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