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Artículo
Solving molecular flexible docking problems with metaheuristics: A comparative study
(Elsevier, 2015)
The main objective of the molecular docking problem is to find a conformation between a small molecule (ligand) and a receptor molecule with minimum binding energy. The quality of the docking score depends on two factors: ...
Artículo
Solving Molecular Docking Problems with Multi-Objective Metaheuristics
(MDPI, 2015)
Molecular docking is a hard optimization problem that has been tackled in the past with metaheuristics, demonstrating new and challenging results when looking for one objective: the minimum binding energy. However, only a ...
Artículo
Multi-objective ligand-protein docking with particle swarm optimizers
(Elsevier, 2019)
In the last years, particle swarm optimizers have emerged as prominent search methods to solve the molecular docking problem. A new approach to address this problem consists in a multi-objective formulation, minimizing the ...
Ponencia
Algoritmo Evolutivo Multi-Objetivo para la Toma de Decisiones Interactiva en Optimización Dinámica
(Asociación Española para la Inteligencia Artificial, 2018)
Debido al creciente interés en el análisis de datos en streaming en entornos Big Data para la toma de decisiones, cada vez es más común la aparición de problemas de optimización dinámica que involucran dos o más objetivos ...
Artículo
Molecular Docking Optimization in the Context of Multi-Drug Resistant and Sensitive EGFR Mutants
(MDPI, 2016)
The human Epidermal Growth Factor (EGFR) plays an important role in signaling pathways, such as cell proliferation and migration. Mutations like G719S, L858R, T790M, G719S/T790M or T790M/L858R can alter its conformation, ...
Artículo
InDM2: Interactive Dynamic Multi-Objective Decision Making Using Evolutionary Algorithms
(Elsevier, 2018)
Dynamic optimization problems involving two or more conflicting objectives appear in many real-world scenarios, and more cases are expected to appear in the near future with the increasing interest in the analysis ...
Capítulo de Libro
On the Velocity Update in Multi-Objective Particle Swarm Optimizers
(Springer, 2010)
Since its appearance, Particle Swarm Optimization (PSO) has become a very popular technique for solving optimization problems because of both its simplicity and its fast convergence properties. In the last few years there ...
Ponencia
Dynamic Multi-Objective Optimization With jMetal and Spark: a Case Study
(Springer, 2016)
Technologies for Big Data and Data Science are receiving increasing research interest nowadays. This paper introduces the prototyping architecture of a tool aimed to solve Big Data Optimization problems. Our tool combines ...
Artículo
A Study of Multiobjective Metaheuristics When Solving Parameter Scalable Problems
(IEEE Computer Society, 2010)
To evaluate the search capabilities of a multiobjective algorithm, the usual approach is to choose a benchmark of known problems, to perform a fixed number of function evaluations, and to apply a set of quality indicators. ...
Ponencia
Docking Inter/Intra-Molecular Mediante Metaheurísticas Multi-objetivo
(MAEB, 2015)
El Acoplamiento Molecular (Molecular Docking) es un problema de optimización de gran complejidad que consiste en predecir la orientación de dos moléculas: el ligando y el receptor, de manera que formen un complejo molecular ...