Structural > Docking & Homology > Docking
FTDock, RPScore and MultiDock
AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
First fully automated Protein-Protein Docking web server.
Insight II provides a comprehensive, integrated molecular graphics environment for visualization, protein engineering, macromolecular simulations, homology modeling, and de novo ligand design, enabling researchers to gain early insights into the structure and function of their targets of interest.
SYBYL is a suite of computational informatics software designed to enhance the drug discovery workflows and decision-making of today's computational chemists and molecular modelers.
ZDOCK includes two protein docking algorithms, designed to operate in succession: a rigid-body docking program and a refinement program.
The eHiTS (electronic High Throughput Screening) software provides flexible ligand docking at speed approaching the crude virtual high throughput screening methods.