Carregant...
Carregant...

Vés al contingut (premeu Retorn)

Randomized tree construction algorithm to explore energy landscapes

Autor
Jaillet, L.G.; Corcho, F.; Perez, J.; Cortés, J.
Tipus d'activitat
Article en revista
Revista
Journal of computational chemistry
Data de publicació
2011-12
Volum
32
Número
16
Pàgina inicial
3464
Pàgina final
3474
DOI
https://doi.org/10.1002/jcc.21931 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/14456 Obrir en finestra nova
URL
http://onlinelibrary.wiley.com/doi/10.1002/jcc.21931/pdf Obrir en finestra nova
Resum
We report in the present work a new method for exploring conformational energy landscapes. The method, called 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 towards yet unexplored regions of the space; on the other, a Monte Carlo-like transition test guides the expansion toward energeti...
Citació
Jaillet, L. [et al.]. Randomized tree construction algorithm to explore energy landscapes. "Journal of computational chemistry", Desembre 2011, vol. 32, núm. 16, p. 3464-3474.
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
ENGMOL - Enginyeria Molecular
ROBiri - Grup de Robòtica de l'IRI

Participants