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The minimized dead-end elimination criterion and its application to protein redesign in a hybrid scoring and search algorithm for computing partition functions over molecular ensembles.

Ivelin GeorgievRyan H. LilienBruce Randall Donald
Published in: J. Comput. Chem. (2008)
Keyphrases
  • dead end
  • search algorithm
  • decision trees
  • search space
  • path planning algorithm
  • heuristic search
  • normalized cut
  • state space
  • ensemble methods
  • hill climbing
  • molecular structures