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Development of a polarizable force field for proteins via ab initio quantum chemistry: First generation model and gas phase tests.

George A. KaminskiHarry A. SternBruce J. BerneRichard A. FriesnerYixiang X. CaoRobert B. MurphyRuhong ZhouThomas A. Halgren
Published in: J. Comput. Chem. (2002)
Keyphrases
  • force field
  • probabilistic model
  • higher order
  • statistical model
  • parameter estimation
  • vector field
  • spatial structure