A complete and effective move set for simplified protein folding
RECOMB '03 Proceedings of the seventh annual international conference on Research in computational molecular biology
Protein structure prediction on the face centered cubic lattice by local search
AAAI'08 Proceedings of the 23rd national conference on Artificial intelligence - Volume 1
Twin Removal in Genetic Algorithms for Protein Structure Prediction Using Low-Resolution Model
IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)
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Protein structure prediction is a challenging optimisation problem to the computer scientists. A large number of existing (meta-)heuristic search algorithms attempt to solve the problem by exploring possible structures and finding the one with minimum free energy. However, these algorithms often get stuck in local minima and thus perform poorly on large sized proteins. In this paper, we present a random-walk based stagnation recovery approach. We tested our approach on tabu-based local search as well as population based genetic algorithms. The experimental results show that, random-walk is very effective for escaping from local minima for protein structure prediction on face-centred-cubic lattice and hydrophobic-polar energy model.