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Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding

The thermodynamic properties and phase behavior of water in confined regions can vary significantly from that observed in the bulk. This is particularly true for systems in which the confinement is on the molecular-length scale. In this study, we use molecular dynamics simulations and a powerful sol...

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書誌詳細
主要な著者: Young, Tom, Abel, Robert, Kim, Byungchan, Berne, Bruce J., Friesner, Richard A.
フォーマット: Artigo
言語:Inglês
出版事項: National Academy of Sciences 2007
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オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC1783395/
https://ncbi.nlm.nih.gov/pubmed/17204562
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0610202104
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