Entering edit mode
9.6 years ago
chemistry1233
▴
60
It's necessary to minimize energy for protein before docking (docking with autodock vina), and what to use for this, what software to use, I download protein PDB from rscb.org and then remove before ligands and water with discovery studio and then add polar hydrogen and kollman charges through autodock tools (convert to pdbqt file). I am asking if I need to minimize energy of protein, where do I need and what to use for this
I have the same question. I have modelled my protein using PHYRE2. Do I need to do energy minimisation before docking?
Swiss-PDB Viewer can be used for energy minimization- http://spdbv.vital-it.ch/energy_tut.html Reason mentioned in the tutorial..