Randomized tree construction algorithm to explore energy landscapes

@article{Jaillet2011RandomizedTC,
  title={Randomized tree construction algorithm to explore energy landscapes},
  author={L{\'e}onard Jaillet and Francesc Corcho and Juan Jes{\'u}s P{\'e}rez and Juan Cort{\'e}s},
  journal={Journal of computational chemistry},
  year={2011},
  volume={32 16},
  pages={3464-74}
}
In this work, a new method for exploring conformational energy landscapes is described. The method, called transition-rapidly exploring random tree (T-RRT), combines ideas from statistical physics and robot path planning algorithms. A search tree is constructed on the conformational space starting from a given state. The tree expansion is driven by a double strategy: on the one hand, it is naturally biased toward yet unexplored regions of the space; on the other, a Monte Carlo-like transition… CONTINUE READING
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