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Transforming molecular biology research through extreme acceleration of AMBER molecular dynamics simulations: sampling for the 99%.

Ross C. WalkerLevi C. T. PierceRomelia Salomón-Ferrer
Published in: XSEDE (2012)
Keyphrases
  • molecular biology
  • molecular dynamics simulations
  • molecular dynamics
  • computational biology
  • protein structure
  • microarray
  • biological data
  • nucleotide sequences
  • databases
  • machine learning
  • metadata
  • protein functional