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Characterizing the Dynamics and Ligand-Specific Interactions in the Human Leukocyte Elastase through Molecular Dynamics Simulations.

Sílvia G. EstácioRui MoreiraRita C. Guedes
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • dynamical systems
  • molecular dynamics simulations
  • high throughput
  • high level
  • optical flow
  • parallel algorithm
  • protein interaction
  • protein protein