Buscar
Mostrando ítems 1-9 de 9
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: ...
Ponencia
Automatic Configuration of NSGA-II with jMetal and irace
(ACM Digital Library, 2019)
jMetal is a Java-based framework for multi-objective optimization with metaheuristics providing, among other features, a wide set of algorithms that are representative of the state-of-the-art. Although it has become a ...
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
jMetalSP: A framework for dynamic multi-objective big data optimization
(Elsevier, 2018)
Multi-objective metaheuristics have become popular techniques for dealing with complex optimization problems composed of a number of conflicting functions. Nowadays, we are in the Big Data era, so metaheuristics must be ...
Artículo
Optimizing ligand conformations in flexible protein targets: amulti-objective strategy
(Springer, 2020)
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromolecule (receptor) is a complex optimization problem, commonly called ligand–protein docking. This problem has been usually ...
Artículo
Qom—A New Hydrologic Prediction Model Enhanced with Multi-Objective Optimization
(MDPI, 2019)
The efficient calibration of hydrologic models allows experts to evaluate past events in river basins, as well as to describe new scenarios and predict possible future floodings. A difficulty in this context is the need ...
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
jMetalPy: a Python Framework for Multi-Objective Optimization with Metaheuristics
(Elsevier, 2019)
This paper describes jMetalPy, an object-oriented Python-based framework for multi-objective optimization with metaheuristic techniques. Building upon our experiences with the well-known jMetal framework, we have developed ...
Ponencia
About Designing an Observer Pattern-Based Architecture for a Multi-objective Metaheuristic Optimization Framework
(Springer, 2018)
Multi-objective optimization with metaheuristics is an active and popular research field which is supported by the availability of software frameworks providing algorithms, benchmark problems, quality indicators and ...