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Probing Molecular Docking in a Charged Model Binding Site

A model binding site was used to investigate charge–charge interactions in molecular docking. This simple site, a small (180 Å(3)) engineered cavity in cyctochrome c peroxidase (CCP), is negatively charged and completely buried from solvent, allowing us to explore the balance between electrostatic e...

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Autori principali: Brenk, Ruth, Vetter, Stefan W., Boyce, Sarah E., Goodin, David B., Shoichet, Brian K.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2006
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC3025978/
https://ncbi.nlm.nih.gov/pubmed/16490206
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmb.2006.01.034
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