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Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations.

David W. WrightPeter V. Coveney
Published in: J. Chem. Inf. Model. (2011)
Keyphrases
  • molecular dynamics simulations
  • hiv protease
  • molecular dynamics
  • coarse grained
  • feature selection
  • fault tolerance
  • protein protein interactions
  • massively parallel
  • encoding schemes