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

  • Johan Desmet
  • Marc De Maeyer
  • Ignace Lasters

Abstract

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).

Keywords

Solvent Accessibility Accessible Surface Area Prediction Score Potential Energy Function Bovine Pancreatic Trypsin Inhibitor 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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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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