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A quantum-chemical study of the binding ability of βXaaHisGlyHis towards copper(II) ion
The present study analyzed binding of Cu(2+) to tetrapeptides in water solution at several levels of theoretical approximation. The methods used to study the energetic and structural properties of the complexes in question include semiempirical hamiltonians, density functional theory as well as ab i...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer-Verlag
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3313029/ https://ncbi.nlm.nih.gov/pubmed/21761180 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-011-1162-9 |
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