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Improved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles

Nuclear receptors (NRs) are ligand dependent transcriptional factors and play a key role in reproduction, development, and homeostasis of organism. NRs are potential targets for treatment of cancer and other diseases such as inflammatory diseases, and diabetes. In this study, we present a comprehens...

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Détails bibliographiques
Auteurs principaux: Park, So-Jung, Kufareva, Irina, Abagyan, Ruben
Format: Artigo
Langue:Inglês
Publié: Springer Netherlands 2010
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC2881208/
https://ncbi.nlm.nih.gov/pubmed/20455005
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-010-9362-4
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