Computational methods for assessing drug-target residence times in bacterial enoyl-ACP reductases and predicting small-molecule permeability for the \(Mycobacterium\) \(tuberculosis\) cell wall

\textbf{Molecular Determinants of Drug-Target Residence Times of Bacterial Enoyl-ACP Reductases.} Whereas optimization processes of early drug discovery campaigns are often affinity-driven, the drug-target residence time $t_R$ should also be considered due to an often strong correlation with \textit...

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Bibliographic Details
Main Author: Merget, Benjamin
Format: Doctoral Thesis
Language:English
Published: 2015
Subjects:
Online Access:https://opus.bibliothek.uni-wuerzburg.de/frontdoor/index/index/docId/12738
http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-127386
https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-127386
https://opus.bibliothek.uni-wuerzburg.de/files/12738/Dissertation_Merget.pdf
https://opus.bibliothek.uni-wuerzburg.de/files/12738/Dissertation_Merget_small.pdf