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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Publicado en:Chem Biol Drug Des
Main Authors: 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
Formato: Artigo
Idioma:Inglês
Publicado: 2014
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Article
Acceso en liña: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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