… Author summary: Currently, molecular docking has become a key tool in computer-assisted …
the basic theories of molecular docking and compares the commonly used docking software. …

… The setting up of the input structures for the docking is just as important as the docking itself,
and … of molecular docking software, and covers the usage of some of the most-cited docking …

… Molecular docking methodology explores the behavior of small molecules in the binding … ,
molecular docking is increasingly used as a tool in drug discovery. Docking against homology-…

… Docking simulations predict optimized docked conformer based upon total energy of the
system. Various computational aspects of molecular docking with … molecular docking, molecular …

… In this article we introduce a molecular docking algorithm … The docking scoring function
of MolDock is an extension of the … To further improve docking accuracy, a re-ranking scoring …

… Molecular docking is a computer simulation procedure to predict the conformation of a
receptor-ligand complex. Each docking … we describe several moleculardocking search algorithms, …

… Docking methodology aims to predict the experimental … The basic tools of a docking
methodology include a search … commonly used in current molecular docking methods that focus …

… : Molecular docking has become an increasingly important tool for drug discovery. In this
review, we present a brief introduction of the available molecular docking … of available docking …

… ; the implications for molecular docking are that we may approximate the receptor and the
ligand as rigid molecules. This greatly simplifies the docking problem by reducing the number …

The aim of docking is to accurately predict the structure of a ligand within the constraints of a
receptor binding site and to correctly estimate the strength of binding. We discuss, in detail, …