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Systematic analysis, aggregation and visualisation of interaction fingerprints for molecular dynamics simulation data.

Sabrina Jaeger-HonzKarsten KleinFalk Schreiber
Published in: J. Cheminformatics (2024)
Keyphrases
  • simulation data
  • molecular dynamics
  • data analysis
  • data sets
  • database systems
  • principal component analysis
  • fine grained
  • dynamical systems