Analysis of Induced Molecular Dynamic Unfolding Simulations of the

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Analysis of Induced Molecular Dynamic Unfolding
Simulations of the TTR Protein

• Transthyretin (TTR) is a human plasma protein
  involved in amyloid diseases such as the Familial
  Amyloid Polyneuropathy (FAP),
• Study of the amyloid formation through the
  analysis of time series representing the induced
  molecular dynamic protein unfolding simulations,
• Simulations measure different biochemical
  properties along the unfolding process.

• Extraction of Association Rules to identify
  hydrophobic clusters,
• Mining Approximate Motifs in sets of time series
  representing amino-acid residues,
• Hierarchical Clustering of residues,
• Prediction of hydrophobic clusters behaviour,
• Study of other biochemical measures (radius of
  gyration, RMSD, secondary structure, H bonds,
  etc).

TEAM Paulo Azevedo, Pedro Ferreira, Cândida
Silva (UCoimbra), Rui Brito (UCoimbra)