Rotamer libraries for spin labels

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Structure and function studies of biomacromolecules are often performed with spin labels – relatively small molecules carrying spins.
Explicit accounting for spin label conformational flexibility is necessary for quantitative analysis of experimental EPR data. We work on developing effective approaches for constructing and optimizing rotamer libraries for spin labels taking that are tailored for specific applications.

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Sat Jun 24 08:38:27 CEST 2017
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