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Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field
[Image: see text] Cation−π interactions play an important role in biomolecular recognition, including interactions between membrane phosphatidylcholine lipids and aromatic amino acids of peripheral proteins. While molecular mechanics coarse grain (CG) force fields are particularly well suited to sim...
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| Publicado no: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2020
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7175457/ https://ncbi.nlm.nih.gov/pubmed/32096995 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b01194 |
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