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Molecular dynamics simulations and in silico peptide ligand screening of the Elk-1 ETS domain.

Abrar HussainPeter E. ShawJonathan D. Hirst
Published in: J. Cheminformatics (2011)
Keyphrases
  • molecular dynamics simulations
  • drug discovery
  • molecular dynamics
  • database
  • database systems
  • image sequences
  • active learning
  • fine grained