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Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach
A model nanometer-sized hydrophobic receptor-ligand system in aqueous solution is studied by the recently developed level-set variational implicit solvent model (VISM). This approach is compared to all-atom computer simulations. The simulations reveal complex hydration effects within the (concave) r...
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| Autors principals: | , , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Institute of Physics
2009
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2771049/ https://ncbi.nlm.nih.gov/pubmed/19831428 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3242274 |
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