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Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study.

Bernhard KnappJames DunbarCharlotte M. Deane
Published in: PLoS Comput. Biol. (2014)
Keyphrases
  • simulation study
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • monte carlo
  • scientific data
  • protein folding
  • amino acids
  • fluid flow