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Predicting antibiotic resistance in complex protein targets using alchemical free energy methods

Drug resistant Mycobacterium tuberculosis, which mostly results from single nucleotide polymorphisms in antibiotic target genes, poses a major threat to tuberculosis treatment outcomes. Relative binding free energy (RBFE) calculations can rapidly predict the effects of mutations, but this approach h...

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Detalles Bibliográficos
Autores principales:	Brankin, Alice E., Fowler, Philip W.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	John Wiley & Sons, Inc. 2022
Materias:	Research Articles
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9545121/ https://www.ncbi.nlm.nih.gov/pubmed/36054249 http://dx.doi.org/10.1002/jcc.26979

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