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A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility, and Implications for Computer-Aided Drug Discovery

With the rise in antibiotic resistance, there is interest in discovering new drugs active against new targets. Here, we investigate the dynamic structures of three isoprenoid synthases from Mycobacterium tuberculosis using molecular dynamics (MD) methods with a view to discovering new drug leads. Tw...

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Dettagli Bibliografici
Pubblicato in:Chem Biol Drug Des
Autori principali: Kim, M. Olivia, Feng, Xinxin, Feixas, Ferran, Zhu, Wei, Lindert, Steffen, Bogue, Shannon, Sinko, William, de Oliveira, César, Rao, Guodong, Oldfield, Eric, McCammon, J. Andrew
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2014
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4412765/
https://ncbi.nlm.nih.gov/pubmed/25352216
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.12463
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