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New insights from molecular dynamic simulation studies of the multiple binding modes of a ligand with G-quadruplex DNA.

Jin-Qiang HouShuo-Bin ChenJia-Heng TanHai-Bin LuoDing LiLian-Quan GuZhi-Shu Huang
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • simulation study
  • dna computing
  • drug design
  • three dimensional
  • dynamic environments
  • inverted pendulum
  • data mining
  • monte carlo
  • sequence analysis
  • drug discovery
  • virtual screening