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Free energy surfaces for the interaction of D-glucose with planar aromatic groups in aqueous solution
Multidimensional potentials of mean force for the interactions in aqueous solution of both anomers of D-glucopyranose with two planar aromatic molecules, indole and para-methyl-phenol, have been calculated using molecular dynamics simulations with umbrella sampling and were subsequently used to esti...
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| Hoofdauteurs: | , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
American Institute of Physics
2010
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2980541/ https://ncbi.nlm.nih.gov/pubmed/20969429 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3496997 |
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