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The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition

Published Web Location

http://europepmc.org/articles/PMC3624796?pdf=render
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Abstract

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 a

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