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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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Autors principals: Young, Tom, Abel, Robert, Kim, Byungchan, Berne, Bruce J., Friesner, Richard A.
Format: Artigo
Idioma:Inglês
Publicat: National Academy of Sciences 2007
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Accés en línia: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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