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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Detalhes bibliográficos
Main Authors: Sinko, William, de Oliveira, César, Williams, Sarah, Van Wynsberghe, Adam, Durrant, Jacob D, Cao, Rong, Oldfield, Eric, McCammon, J Andrew
Formato: Artigo
Idioma:Inglês
Publicado em: Blackwell Publishing Ltd 2011
Assuntos:
Research Articles
Acesso em linha: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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