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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 ...
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 ...
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. ...
Artículo
Multiple Sequence Alignment with Multiobjective Metaheuristics. A Comparative Study
(Wiley, 2017)
Multiple sequence alignment (MSA) plays a core role in most bioinformatics studies and provides a framework for the analysis of evolution in biological systems. The MSA problem consists in finding an optimal alignment ...
Artículo
Inference of gene regulatory networks with multi-objective cellular genetic algorithm
(Elsevier, 2019)
Reverse engineering of biochemical networks remains an important open challenge in computational systems biology. The goal of model inference is to, based on time-series gene expression data, obtain the sparse ...