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

Open Access

Peer-reviewed

Research Article

Benjamin Merget,

Affiliation Institute of Pharmacy and Food Chemistry, University of Würzburg, Am Hubland, D-97074, Würzburg, Germany
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Christoph A. Sotriffer

* E-mail: sotriffer@uni-wuerzburg.de

Affiliation Institute of Pharmacy and Food Chemistry, University of Würzburg, Am Hubland, D-97074, Würzburg, Germany
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Monomers
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Crystal structure
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Ethers
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Oxygen
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Mycobacterium tuberculosis
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Binding analysis
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Biochemical simulations
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Molecular dynamics
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