Farnesyl Diphosphate Synthase Inhibitors from In Silico Screening

The relaxed complex scheme is an in silico drug screening method that accounts for receptor flexibility using molecular dynamics simulations. Here, we used this approach combined with similarity searches and experimental inhibition assays to identify several low micromolar, non-bisphosphonate inhibi...

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Detalles Bibliográficos
Autores principales: Lindert, Steffen, Zhu, Wei, Liu, Yi-Liang, Pang, Ran, Oldfield, Eric, McCammon, J Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Blackwell Publishing Ltd 2013
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3671582/
https://www.ncbi.nlm.nih.gov/pubmed/23421555
http://dx.doi.org/10.1111/cbdd.12121

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3671582/
https://www.ncbi.nlm.nih.gov/pubmed/23421555
http://dx.doi.org/10.1111/cbdd.12121

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