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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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Библиографические подробности
Главные авторы: Merski, Matthew, Shoichet, Brian K.
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2013
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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