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