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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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| Udgivet i: | J Chem Theory Comput |
|---|---|
| Main Authors: | , , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American
Chemical Society
2020
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| Online adgang: | 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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