Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations

An important kinetic parameter for drug efficacy is the residence time of a compound at a drug target, which is related to the dissociation rate constant k(off). For the essential antimycobacterial target InhA, this parameter is most likely governed by the ordering of the flexible substrate binding...

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Detalles Bibliográficos
Autores principales: Merget, Benjamin, Sotriffer, Christoph A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2015
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4440617/
https://www.ncbi.nlm.nih.gov/pubmed/25996598
http://dx.doi.org/10.1371/journal.pone.0127009

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4440617/
https://www.ncbi.nlm.nih.gov/pubmed/25996598
http://dx.doi.org/10.1371/journal.pone.0127009

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