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Uncertainty Visualization for Secondary Structures of Proteins

Authors: Christoph Schulz 0001; Karsten Schatz; Michael Krone; Matthias Braun 0005; Thomas Ertl; Daniel Weiskopf;

Uncertainty Visualization for Secondary Structures of Proteins

Abstract

We present a technique that conveys the uncertainty in the secondary structure of proteins—an abstraction model based on atomic coordinates. While protein data inherently contains uncertainty due to the acquisition method or the simulation algorithm, we argue that it is also worth investigating uncertainty induced by analysis algorithms that precede visualization. Our technique helps researchers investigate differences between multiple secondary structure assignment methods. We modify established algorithms for fuzzy classification and introduce a discrepancy-based approach to project an ensemble of sequences to a single importance-weighted sequence. In 2D, we depict the aggregated secondary structure assignments based on the per-residue deviation in a collapsible sequence diagram. In 3D, we extend the ribbon diagram using visual variables such as transparency, wave form, frequency, or amplitude to facilitate qualitative analysis of uncertainty. We evaluated the effectiveness and acceptance of our technique through expert reviews using two example applications: the combined assignment against established algorithms and time-dependent structural changes originating from simulated protein dynamics.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
8
Top 10%
Average
Top 10%
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