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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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| Main Authors: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
Blackwell Publishing Ltd
2013
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| Assuntos: | |
| Acceso en liña: | 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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