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The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand Recognition
[Image: see text] Simplified model binding sites allow one to isolate entangled terms in molecular energy functions. Here, we investigate the effects on ligand recognition of the introduction of a histidine into a hydrophobic cavity in lysozyme. We docked 656040 molecules and tested 26 highly and ni...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American
Chemical Society
2013
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3624796/ https://ncbi.nlm.nih.gov/pubmed/23473072 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm301823g |
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