TY - JOUR
T1 - Algoritmo evolutivo h'íbrido para optimización geométrica molecular
AU - Blanquel, Ericka García
AU - Blanquel, Claudia Garcí A.
AU - Luna-García, René
N1 - Publisher Copyright:
© 2019 Instituto Politecnico Nacional. All rights reserved.
PY - 2019
Y1 - 2019
N2 - 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.
AB - 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.
KW - Clustering algorithm
KW - Evolutionary algorithm
KW - Geometric optimization
UR - http://www.scopus.com/inward/record.url?scp=85069740004&partnerID=8YFLogxK
U2 - 10.13053/CyS-23-2-2541
DO - 10.13053/CyS-23-2-2541
M3 - Artículo
AN - SCOPUS:85069740004
SN - 1405-5546
VL - 23
SP - 569
EP - 582
JO - Computacion y Sistemas
JF - Computacion y Sistemas
IS - 2
ER -