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Variational Implicit-Solvent Modeling of Host–Guest Binding: A Case Study on Cucurbit[7]uril|
[Image: see text] The synthetic host cucurbit[7]uril (CB[7]) binds aromatic guests or metal complexes with ultrahigh affinity compared with that typically displayed in protein–ligand binding. Due to its small size, CB[7] serves as an ideal receptor–ligand system for developing computational methods...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2013
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3770055/ https://ncbi.nlm.nih.gov/pubmed/24039554 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct400232m |
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