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Cation-π interactions between methylated ammonium groups and tryptophan in the CHARMM36 additive force field
Cation-π interactions between tryptophan and choline or trimethylated lysines are vital for many biological processes. The performance of the additive CHARMM36 force field against target quantum mechanical data is shown to reproduces QM equilibrium geometries but required modified Lennard-Jones pote...
में बचाया:
| में प्रकाशित: | J Chem Theory Comput |
|---|---|
| मुख्य लेखकों: | , , |
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
2018
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| विषय: | |
| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6467778/ https://ncbi.nlm.nih.gov/pubmed/30562013 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.8b00839 |
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