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Improving the force field description of tyrosine-choline cation-π interactions: QM investigation of phenol-N(Me)(4)(+) interactions

Cation-π interactions between tyrosine amino acids and compounds containing a N,N,N-trimethylethanolammonium (N(CH(3))(3)) are involved in the recognition of histone tails by chromodomains and in the recognition of phosphatidylcholine (PC) phospholipids by membrane-binding proteins. Yet the lack of...

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Dades bibliogràfiques
Publicat a:J Chem Theory Comput
Autors principals: Khan, Hanif M., Grauffel, Cédric, Broer, Ria, MacKerell, Alexander D., Havenith, Remco W. A., Reuter, Nathalie
Format: Artigo
Idioma:Inglês
Publicat: 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5148683/
https://ncbi.nlm.nih.gov/pubmed/27682345
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b00654
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