Calculate Binding Energy
Upload Files, Adjust Parameters and Submit Job
Before submitting a job, prepare three PQR files for the biomolecule complex and its two components (component A and component B). This can be done by first downloading PDB files of the biomolecules from the RCSB Protein Data Bank, and then converting them to PQR files by using PDB2PQR. After preparing the PQR files:
- Upload the PQR files for the complex, component A, and component B separately.
- Adjust basic parameters, or use default parameter values.
- (Optional) Adjust additional parameters (located in tabs).
- Submit the job by clicking the "Run SMPBS" button.
After submitting the job, please wait patiently for your results.
When your results are successfully retrieved from the server, you should see the following changes on the page:
- The "Electrostatic Binding Free Energy" section below should show a table summarizing the computation results.