Upload and Start!

Choose a name for the simulation and upload a PDB file fulfilling the requirements given in the Documentation (Example). The preparation can be done in a fully automatic way using default parameters or interactively. The interactive option allows the user to change parameters and analyze the intermediate results.
The modeling and docking of a GPCR/ligand complex can be performed by our GOMoDo webserver. The GOMoDo webserver is directly linked to this server which allows the user to follow the entire procedure of modeling, docking and refinement with a few clicks.

To run the demo system with the A2A receptor in complex with it‘s antagonist caffeine (CFF), do not select a file to upload.
Example input PDB file
Example finished preparation output

1-click preparation, takes some time.

Interactive preparation, go through the preparation process step-by-step, adjust parameters and analyze intermediate results.