The “Dead-End Elimination” Theorem: A New Approach to the Side-Chain Packing Problem

  • Johan Desmet
  • Marc De Maeyer
  • Ignace Lasters


The prediction of a protein’s tertiary structure is still computationally infeasible, mainly because of the huge number of a priori possible global conformations. The prediction of side-chain conformations that are attached to a given, fixed main-chain structure is considered as a less complex but still important subproblem with applications to, for instance, homology modeling (Lee and Subbiah, 1991). Nevertheless, the determination of the global minimum energy conformation (GMEC) of a set of protein side chains was up to now still limited to small, densely packed units (Ponder and Richards, 1987; Lee and Levitt, 1991).


Entropy Glutathione Catalysis Amide Carboxylate 


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Copyright information

© Birkhäuser Boston 1994

Authors and Affiliations

  • Johan Desmet
  • Marc De Maeyer
  • Ignace Lasters

There are no affiliations available

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