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PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations.

Todd J. DolinskyPaul CzodrowskiHui LiJens E. NielsenJan H. JensenGerhard KlebeNathan A. Baker
Published in: Nucleic Acids Res. (2007)
Keyphrases
  • molecular structure
  • semi automated
  • simulation data
  • structural analysis
  • molecular dynamics
  • three dimensional
  • protein structure
  • data collection
  • secondary structure
  • data analysis
  • chemical reactions