Add to ORKGMotivation: Computer modeling of protein-ligand interactions is one of the most important phases in a drug design process. The core part of this modeling is a resolution of a global unconstrained optimi-zation problem. This paper presents a comparative computational experiments aimed at studying the efficiency of the different optimi-zation methods applied to the docking problem. We present experi-mental results for different optimization algorithms and draw conclu-sions about their efficiency.
The main objective of the molecular docking problem is to find a conformation between a small molecu...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
International audienceIn this paper, we present a molecular docking method to predict the optimal bi...
Summary. — Optimization methods are a powerful tool in protein structure anal-ysis. In this paper we...
Three heuristic algorithms: simulated annealing, genetic algorithm, and Tabu search were compared to...
Ligand docking is the computational prediction of the bound conformation of a small molecule in a co...
Computer modeling of protein ligand interactions is one of the most important phases in a drug desig...
Studies that include both experimental data and computational simulations (in silico) have increased...
Ligand-protein docking is an optimization problem based on predicting the position of a ligand with ...
Computer modeling of protein-ligand interactions is one of the most important phases in a drug desig...
Molecular docking is a Bioinformatics method based on predicting the position and orientation of a ...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
In the last years, particle swarm optimizers have emerged as prominent search methods to solve the m...
A rational approach is needed to maximize the chances of finding new drugs, and to exploit the oppor...
Molecular docking is a hard optimization problem that has been tackled in the past with metaheuristi...
The main objective of the molecular docking problem is to find a conformation between a small molecu...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
International audienceIn this paper, we present a molecular docking method to predict the optimal bi...
Summary. — Optimization methods are a powerful tool in protein structure anal-ysis. In this paper we...
Three heuristic algorithms: simulated annealing, genetic algorithm, and Tabu search were compared to...
Ligand docking is the computational prediction of the bound conformation of a small molecule in a co...
Computer modeling of protein ligand interactions is one of the most important phases in a drug desig...
Studies that include both experimental data and computational simulations (in silico) have increased...
Ligand-protein docking is an optimization problem based on predicting the position of a ligand with ...
Computer modeling of protein-ligand interactions is one of the most important phases in a drug desig...
Molecular docking is a Bioinformatics method based on predicting the position and orientation of a ...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
In the last years, particle swarm optimizers have emerged as prominent search methods to solve the m...
A rational approach is needed to maximize the chances of finding new drugs, and to exploit the oppor...
Molecular docking is a hard optimization problem that has been tackled in the past with metaheuristi...
The main objective of the molecular docking problem is to find a conformation between a small molecu...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
International audienceIn this paper, we present a molecular docking method to predict the optimal bi...