Next: Chapter 5 Up: Dynamic and Stochastic Protein Previous: Conformations of Met-Enkephalin

Conclusions

The Probability Grid Monte Carlo method is an effective strategy for sampling the conformation space of peptides. Even without the benefit of simulated annealing or other more elaborate temperature adjustment schemes, it regularly produced very low energy conformations for Met-enkephalin. These conformations are quite similar to the published global minimum of ECEPP/2. In addition, a much wider variety of conformations was generated at a slightly higher energy. This ensemble of conformations may be important for understanding the bound conformations and activity of Met-enkephalin.

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ktl@sgi1.wag.caltech.edu
Sat Jun 18 14:06:11 PDT 1994