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Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein.

Yi FuJi ZhaoZhiguo Chen
Published in: Comput. Math. Methods Medicine (2018)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • protein folding
  • high performance computing
  • scientific data
  • fluid flow
  • database systems
  • data management
  • protein protein
  • databases
  • data mining
  • protein interaction