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Density functional theory studies of MTSL nitroxide side chain conformations attached to an activation loop
A quantum mechanical (QM) method rooted on density functional theory (DFT) has been employed to determine conformations of the methane-thiosulfonate spin label (MTSL) attached to a fragment extracted from the activation loop of Aurora-A kinase. The features of the calculated energy surface revealed...
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| Udgivet i: | Theor Chem Acc |
|---|---|
| Main Authors: | , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer Berlin Heidelberg
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4805727/ https://ncbi.nlm.nih.gov/pubmed/27069413 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-016-1859-z |
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