Energy minimization of protein
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9.0 years ago

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

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I have the same question. I have modelled my protein using PHYRE2. Do I need to do energy minimisation before docking?

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Swiss-PDB Viewer can be used for energy minimization- http://spdbv.vital-it.ch/energy_tut.html Reason mentioned in the tutorial..

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