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An expert protein loop refinement protocol by molecular dynamics simulations with restraints.

Karina C. M. Dall'AgnoOsmar Norberto de Souza
Published in: Expert Syst. Appl. (2013)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • contact map
  • high performance computing
  • scientific data
  • protein folding
  • databases
  • protein structure
  • data mining
  • digital libraries
  • sensor networks