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...
| Veröffentlicht in: | Theoretical chemistry accounts. - 1998. - 135(2016) vom: 05., Seite 97 |
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| Weitere Verfasser: | , , |
| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2016
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| Zugriff auf das übergeordnete Werk: | Theoretical chemistry accounts |
| Schlagworte: | Journal Article Computational chemistry DFT EPR |