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Improved Modeling of Cation-π and Anion-Ring Interactions Using the Drude Polarizable Empirical Force Field for Proteins
Cation-π interactions are noncovalent interactions between a π-electron system and a positively charged ion that are regarded as a strong noncovalent interaction and are ubiquitous in biological systems. Similarly, though less studied, anion-π interactions are present in proteins along with in-plane...
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| Publicado no: | J Comput Chem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7322827/ https://ncbi.nlm.nih.gov/pubmed/31518010 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.26067 |
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