Doutorado em Ciência da Computação
URI Permanente para esta coleção
Navegar
Navegando Doutorado em Ciência da Computação por Por Orientador "Soares, Telma Woerle de Lima"
Agora exibindo 1 - 2 de 2
Resultados por página
Opções de Ordenação
Item Preditor híbrido de estruturas terciárias de proteínas(Universidade Federal de Goiás, 2023-08-10) Almeida, Alexandre Barbosa de; Soares, Telma Woerle de Lima; http://lattes.cnpq.br/6296363436468330; Soares , Telma Woerle de Lima; Camilo Junior , Celso Gonoalves; Vieira, Flávio Henrique Teles; Delbem, Alexandre Cláudio Botazzo; Faccioli, Rodrigo AntônioProteins are organic molecules composed of chains of amino acids and play a variety of essential biological functions in the body. The native structure of a protein is the result of the folding process of its amino acids, with their spatial orientation primarily determined by two dihedral angles (φ, ψ). This work proposes a new hybrid method for predicting the tertiary structures of proteins called hyPROT, combining techniques of Multi-objective Evolutionary Algorithm optimization (MOEA), Molecular Dynamics, and Recurrent Neural Networks (RNNs). The proposed approach investigates the evolutionary profile of dihedral angles (φ, ψ) obtained by different MOEAs during the minimization process of the objective function by dominance and energy minimization by molecular dynamics. This proposal is unprecedented in the protein prediction literature. The premise under investigation is that the evolutionary profile of dihedrals may be concealing relevant patterns about folding mechanisms. To analyze the evolutionary profile of angles (φ, ψ), RNNs were used to abstract and generalize the specific biases of each MOEA. The selected MOEAs were NSGAII, BRKGA, and GDE3, and the objective function investigated combines the potential energy from non-covalent interactions and the solvation energy. The results obtained show that the hyPROT was able to reduce the RMSD value of the best prediction generated by the MOEAs individually by at least 33%. Predicting new series for dihedral angles allowed for the formation of histograms, indicating the formation of a possible statistical ensemble responsible for the distribution of dihedrals (φ, ψ) during the folding processItem Geração de modelos sintéticos de topologia de sistemas de distribuição de energia elétrica(Universidade Federal de Goiás, 2022-05-23) Teles, Ronneesley Moura; Camillo, Marcos Henrique Marçal; http://lattes.cnpq.br/6702028822213616; Soares, Telma Woerle de Lima; http://lattes.cnpq.br/6296363436468330; Soares, Telma Woerle de Lima; Fanucchi, Rodrigo Zempulski; London Junior, João Bosco Augusto; Galvão Filho, Arlindo Rodrigues; Camillo, Marcos Henrique MarçalThe development of algorithms to solve problems related to electrical networks has always faced access to data, since, for reasons of security and secrecy, analysts are unable to obtain real data from these networks. This work arises in order to mitigate this problem, allowing these researchers to generate synthetic networks with characteristics close to real networks. For this, algorithms were developed to generate forests with several rooted trees based on the characteristics of real electrical networks. These algorithms are guided during the search process through the desired topological distributions, allowing the use of characteristics of real networks from any Brazilian state or regions of the world. This study was based on the electrical networks of the state of Paraná. Each proposed algorithm was studied in relation to its tree generation trends allowing a better understanding of its behavior. These algorithms were employed in the generation of electrical networks through a multiobjective evolutionary computation process, using the NSGA-II method, and resulted in networks with degree distribution, number of buses per feeder and number of leaves per feeder similar to the real networks studied. In addition, a method for positioning consumers was determined and a single-objective genetic algorithm was developed for the ideal positioning of normally closed and normally open switches. It was able to evaluate faults in all the buses of an electrical network in a single depth search through the use of dynamic programming techniques. By using the algorithms and methodology developed in this thesis, the researcher will have a topology containing feeder, buses, sections, normally open and normally closed switches, and the number of consumers in the buses at his disposal for his studies.