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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Autors principals: Sinko, William, de Oliveira, César, Williams, Sarah, Van Wynsberghe, Adam, Durrant, Jacob D, Cao, Rong, Oldfield, Eric, McCammon, J Andrew
Format: Artigo
Idioma:Inglês
Publicat: Blackwell Publishing Ltd 2011
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Research Articles
Accés en línia: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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