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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Bibliographic Details
Main Authors: Lindert, Steffen, Zhu, Wei, Liu, Yi-Liang, Pang, Ran, Oldfield, Eric, McCammon, J Andrew
Format: Artigo
Language:Inglês
Published: Blackwell Publishing Ltd 2013
Subjects:
Research Articles
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3671582/
https://ncbi.nlm.nih.gov/pubmed/23421555
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/cbdd.12121
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