The protein–ligand docking problem plays a crucial role in the drug discovery process and
remains challenging in bioinformatics. A successful protein–ligand docking approach …

Protein–ligand docking is a process of searching for the optimal binding conformation
between the receptor and the ligand. Automated docking plays an important role in drug …

Molecular docking plays a vital role in modern drug discovery, by supporting predictions of
the binding modes and affinities of ligands at the binding site of target proteins. Several …

Protein–ligand docking plays an important role in computer-aided pharmaceutical
development. Protein–ligand docking can be defined as a search algorithm with a scoring …

Differential Evolution (DE) algorithm is powerful in optimization problems over several real
parameters. DE depends on strategies to generate new trial solutions and the associated …

Protein–ligand docking is a molecular modeling technique that is used to predict the
conformation of a small molecular ligand at the binding pocket of a protein receptor. There …

Computer simulation of binding a small molecule (ligand) to the protein receptor is one of
the most important issues in present drug design research. The goal of this procedure is to …

AutoDock is a widely used automated protein docking program in structure-based drug-
design. Different search algorithms, such as Simulated Annealing, traditional Genetic …

Protein–ligand docking can be formulated as a search algorithm associated with an
accurate scoring function. However, most current search algorithms cannot show good …

Protein-ligand docking is an essential part of computer-aided drug design, and it identifies
the binding patterns of proteins and ligands by computer simulation. Though Lamarckian …