Resumen
In this work a hybrid algorithm is developed to solve a geometric optimization problem which is classified as NP-complete problem. The proposal effectively combines an evolutionary algorithm with a clustering algorithm to balance the exploration and exploitation of the search space. This algorithm works with the secondary structure of the molecule using the backbone dihedral angles j (phi) and y (psi) as the main components because de energy depend directly of them, the angles j and y are described in a Ramachandran map and the local search is guided towards the conformations of the lowest energy.
Título traducido de la contribución | Hybrid evolutionary algorithm for molecular geometric optimization |
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Idioma original | Español |
Páginas (desde-hasta) | 569-582 |
Número de páginas | 14 |
Publicación | Computacion y Sistemas |
Volumen | 23 |
N.º | 2 |
DOI | |
Estado | Publicada - 2019 |
Palabras clave
- Clustering algorithm
- Evolutionary algorithm
- Geometric optimization