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 Simulation and Interpretation of Experiments |
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Structure Ensembles from Solid State NMR
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Bert L. de Groot and Helmut Grubmüller
Using a combination of solid-state NMR and molecular dynamics simulation, structure ensembles of intrinsically unstructured peptides are determined. Changes in structural preferences due to environment or receptor binding could be characterized this way for the GPCR binding peptide neurotensin.
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Links
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References
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H. Heise, S. Luca, B. L. de Groot, H. Grubmüller, and M. Baldus. Probing conformational disorder in neurotensin by two-dimensional solid-state NMR and comparison to molecular dynamics simulations. Biophys. J. 89: 2113-2120 (2005).
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