TITAN: Two-dimensional lineshape analysis of biomolecular NMR titration experiments

What is it about?

2D NMR titrations are a very common way of studying biomolecular interactions. The data are extremely information rich, but typical analyses are not able to extract much of this information. Here we introduce the concept of 2D lineshape analysis, based on quantum mechanical simulation of the entire NMR pulse sequence, which for the first time provides a rigorous theoretical description of 2D NMR titration experiments. We describe a new software package, NMR TITAN, that implements this analysis in an easy-to-use interface.

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