Add to ORKGMolecular docking is a complex optimization problem aimed at predicting the position of a ligand molecule in the active site of a receptor with the lowest binding energy. This problem can be formulated as a bi-objective optimization problem by minimizing the binding energy and the Root Mean Square Deviation (RMSD) difference in the coordinates of ligands. In this context, the SMPSO multi-objective swarm-intelligence algorithm has shown a remarkable performance. SMPSO is characterized by having an external archive used to store the non-dominated solutions and also as the basis of the leader selection strategy. In this paper, we analyze several SMPSO variants based on different archiving strategies in the scope of a benchmark of molecular doc...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
Abstract Background Development of a fast and accurate scoring function in virtual screening remains...
The molecular docking algorithms concern about location of the best conformation to dock a ligand to...
Molecular docking is a complex optimization problem aimed at predicting the position of a ligand mo...
In the last years, particle swarm optimizers have emerged as prominent search methods to solve the m...
Molecular docking is a hard optimization problem that has been tackled in the past with metaheuristi...
Ligand-protein docking is an optimization problem based on predicting the position of a ligand with ...
Molecular docking is a Bioinformatics method based on predicting the position and orientation of a ...
Particle Swarm Optimiser (PSO) uses a general-purpose, iterative, heuristic search algorithm. It con...
The main objective of the molecular docking problem is to find a conformation between a small molecu...
El acoplamiento molecular es un problema de optimización complejo cuyo objetivo es la predicción de ...
International audienceMolecular docking is an essential tool for drug design. It helps the scientist...
none3Ligand docking is the computational prediction of the bound conformation of a small molecule in...
leipzig.de The identification of protein binding sites and the prediction of protein-ligand complexe...
PythDock is a heuristic docking program that uses Python programming language with a simple scoring ...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
Abstract Background Development of a fast and accurate scoring function in virtual screening remains...
The molecular docking algorithms concern about location of the best conformation to dock a ligand to...
Molecular docking is a complex optimization problem aimed at predicting the position of a ligand mo...
In the last years, particle swarm optimizers have emerged as prominent search methods to solve the m...
Molecular docking is a hard optimization problem that has been tackled in the past with metaheuristi...
Ligand-protein docking is an optimization problem based on predicting the position of a ligand with ...
Molecular docking is a Bioinformatics method based on predicting the position and orientation of a ...
Particle Swarm Optimiser (PSO) uses a general-purpose, iterative, heuristic search algorithm. It con...
The main objective of the molecular docking problem is to find a conformation between a small molecu...
El acoplamiento molecular es un problema de optimización complejo cuyo objetivo es la predicción de ...
International audienceMolecular docking is an essential tool for drug design. It helps the scientist...
none3Ligand docking is the computational prediction of the bound conformation of a small molecule in...
leipzig.de The identification of protein binding sites and the prediction of protein-ligand complexe...
PythDock is a heuristic docking program that uses Python programming language with a simple scoring ...
Finding the orientation of a ligand (small molecule) with the lowest binding energy to the macromole...
Abstract Background Development of a fast and accurate scoring function in virtual screening remains...
The molecular docking algorithms concern about location of the best conformation to dock a ligand to...