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Calculation of weakly polar interaction energies in polypeptides using density functional and local Møller-Plesset perturbation theory.

József CsontosNicholas Y. PalermoRichard F. MurphySándor Lovas
Published in: J. Comput. Chem. (2008)
Keyphrases
  • perturbation theory
  • graph cuts
  • social networks
  • energy function
  • maximal cliques