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LIBSA – A Method for the Determination of Ligand-Binding Preference to Allosteric Sites on Receptor Ensembles
[Image: see text] Incorporation of receptor flexibility into computational drug discovery through the relaxed complex scheme is well suited for screening against a single binding site. In the absence of a known pocket or if there are multiple potential binding sites, it may be necessary to do dockin...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical
Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3985772/ https://ncbi.nlm.nih.gov/pubmed/24437606 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400474u |
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