Sonifying stochastic walks on biomolecular energy landscapes

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Date
2018-06Author
Arbon, Robert E.
Jones, Alex J.
Bratholm, Lars A.
Mitchell, Tom
Glowacki, David R.
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Show full item recordAbstract
Translating the complex, multi-dimensional data produced by simulations
of biomolecules into an intelligible form is a major challenge
in computational chemistry and biology. The so-called “free
energy landscape” is amongst the most fundamental concepts used
by scientists to understand both static and dynamic properties of
biomolecular systems. In this paper we use Markov models to
design a strategy for mapping features of this landscape to sonic
parameters, for use in conjunction with visual display techniques
such as structural animations and free energy diagrams. This allows
for concurrent visual display of the physical configuration of
a biomolecule and auditory display of characteristics of the corresponding
free energy landscape. The resulting sonification provides
information about the relative free energy features of a given
configuration including its stability.