CH/π interactions involving aromatic amino acids: Refinement of the CHARMM tryptophan force field
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Summary
Comparisons with published data indicate that the MP2/cc‐pVTZ level of theory is suitable for calculations of CH/π interaction, including the T‐shape benzene dimer, and in the majority of orientations, CHARMM22 reproduces the preferred binding modes, with excellent agreement for the benzeneDimer.
- Type
- article
- Published
- 2005-11-15
- Cited by
- 75
- References
- 58
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- https://openalex.org/W16088926
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- https://api.semanticscholar.org/CorpusID:22883953
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References
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