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Molecular Dynamics Investigation on a Series of HIV Protease Inhibitors: Assessing the Performance of MM-PBSA and MM-GBSA Approaches.

Hemant Kumar SrivastavaG. Narahari Sastry
Published in: J. Chem. Inf. Model. (2012)
Keyphrases
  • molecular dynamics
  • hiv protease
  • human immunodeficiency virus
  • coarse grained
  • machine learning
  • data streams
  • load balancing
  • high performance computing
  • drug resistance