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Differences in hydration structure near hydrophobic and hydrophilic amino acids.

We use molecular dynamics to simulate recent neutron scattering experiments on aqueous solutions of N-acetyl-leucine-amide and N-acetyl-glutamine-amide, and break down the total scattering function into contributions from solute-solute, solute-water, water-water, and intramolecular correlations. We...

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Autors principals: Head-Gordon, T, Sorenson, J M, Pertsemlidis, A, Glaeser, R M
Format: Artigo
Idioma:Inglês
Publicat: 1997
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC1181111/
https://ncbi.nlm.nih.gov/pubmed/9336206
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