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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...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Merski, Matthew, Shoichet, Brian K.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: American Chemical Society 2013
Mynediad Ar-lein: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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