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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...
Gorde:
| Argitaratua izan da: | PLoS One |
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| Egile Nagusiak: | , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Public Library of Science
2015
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4440617/ https://ncbi.nlm.nih.gov/pubmed/25996598 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0127009 |
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