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Balance between hydration enthalpy and entropy is important for ice binding surfaces in Antifreeze Proteins

Antifreeze Proteins (AFPs) inhibit the growth of an ice crystal by binding to it. The detailed binding mechanism is, however, still not fully understood. We investigated three AFPs using Molecular Dynamics simulations in combination with Grid Inhomogeneous Solvation Theory, exploring their hydration...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Schauperl, Michael, Podewitz, Maren, Ortner, Teresa S., Waibl, Franz, Thoeny, Alexander, Loerting, Thomas, Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2017
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5605524/
https://ncbi.nlm.nih.gov/pubmed/28928396
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-017-11982-8
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