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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Public Library of Science
2015
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| 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 |