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Protein Structure Prediction with Evolutionary Algorithms

Conference ·
OSTI ID:3477

Evolutionary algorithms have been successfully applied to a variety of molecular structure prediction problems. In this paper we reconsider the design of genetic algorithms that have been applied to a simple protein structure prediction problem. Our analysis considers the impact of several algorithmic factors for this problem: the confirmational representation, the energy formulation and the way in which infeasible conformations are penalized, Further we empirically evaluated the impact of these factors on a small set of polymer sequences. Our analysis leads to specific recommendations for both GAs as well as other heuristic methods for solving PSP on the HP model.

Research Organization:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Organization:
US Department of Energy (US)
DOE Contract Number:
AC04-94AL85000
OSTI ID:
3477
Report Number(s):
SAND99-0329C
Country of Publication:
United States
Language:
English

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