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PDB2PQR: an automated pipeline for the setup of Poisson-Boltzmann electrostatics calculations.

Todd J. DolinskyJens E. NielsenJames Andrew McCammonNathan A. Baker
Published in: Nucleic Acids Res. (2004)
Keyphrases
  • semi automated
  • closed form
  • protein structure
  • fully automated
  • pipeline architecture
  • artificial intelligence
  • search algorithm
  • data driven
  • markov chain
  • computer aided
  • context sensitive