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 …

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 …

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

In protein–ligand docking, an optimization algorithm is used to find the best binding pose of
a ligand against a protein target. This algorithm plays a vital role in determining the docking …

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

Molecular docking has emerged as an important tool in drug design and development.
Currently, there is a relatively large and ever-increasing number of molecular docking …

Protein–ligand docking is an essential step in modern drug discovery process. The
challenge here is to accurately predict and efficiently optimize the position and orientation of …

Protein–ligand docking can be formulated as a parameter optimization problem associated
with an accurate scoring function, which aims to identify the translation, orientation, and …

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 …