OmegaDock Molecular Docking Server lets you start docking right now. It lets you to use different docking engines; first and foremost of them is Autodock Vina.
For Autodock Vina Docking Engine, we use the same PDBQT molecular structure file format used by Autodock Vina
One to one molecular docking may not take much time. But if you need to dock iteratively, it will be very time consuming.
Many experiments share the same target or includes just couple of different target molecules but vast majority of them includes hundreds or thousands of ligands for a virtual screening.
Use our one to many docking solution to set the target specs ones and apply same settings to all target-ligand pairs.
If you are planning to check selectivity of your drug candidate, it is good to find selective lead molecules at the beginning of everything.
Your ligand set will be docked to all available target molecules and anly ligand will be promoted if it binds to the prefered target while not binding the undesired target molecule.
"OmegaDock is way much faster than any other software and easy to use for a wet-lab researcher."