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Accurate ab Initio Study on the Hydrogen-Bond Pairs in Protein Secondary Structures
Ab initio calculations up to the MP2/aug-cc-pVQZ//MP2/6-311+G** level have been carried out to characterize the four patterns of hydrogen-bond (H-bond) pairs in protein secondary structures. The unblocked and methyl-blocked glycine dipeptide dimers were arranged to model the H-bond pairs in α-helix...
Gardado en:
| Publicado en: | J Chem Theory Comput |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2007
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4515431/ https://ncbi.nlm.nih.gov/pubmed/26221082 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct700021f |
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