Applying Molecular Dynamics Simulations to Identify Rarely Sampled Ligand-bound Conformational States of Undecaprenyl Pyrophosphate Synthase, an Antibacterial Target

Undecaprenyl pyrophosphate synthase is a cis-prenyltransferase enzyme, which is required for cell wall biosynthesis in bacteria. Undecaprenyl pyrophosphate synthase is an attractive target for antimicrobial therapy. We performed long molecular dynamics simulations and docking studies on undecaprenyl...

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Autores principales: Sinko, William, de Oliveira, César, Williams, Sarah, Van Wynsberghe, Adam, Durrant, Jacob D, Cao, Rong, Oldfield, Eric, McCammon, J Andrew
Formato: Artigo
Lenguaje:Inglês
Publicado: Blackwell Publishing Ltd 2011
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Research Articles
Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC3095679/
https://ncbi.nlm.nih.gov/pubmed/21294851
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/j.1747-0285.2011.01101.x
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