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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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Publicat a:Chem Biol Drug Des
Autors principals: 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
Format: Artigo
Idioma:Inglês
Publicat: 2014
Matèries:
Accés en línia: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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