Question: Energy minimization of protein
gravatar for chemistry1233
2.9 years ago by
chemistry123340 wrote:

It`s neccesary to minimize energy for protein before docking ( docking with autodock vina), and what to use for this, what software to use, I dpwnload protein PDB from and then remove before ligands and water with discovery studio and then add polar hydrogen and kollman charges throught 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 thisĀ 

software error • 1.4k views
ADD COMMENTlink modified 20 months ago by ag1805x40 • written 2.9 years ago by chemistry123340
gravatar for ag1805x
20 months ago by
ag1805x40 wrote:

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

ADD COMMENTlink written 20 months ago by ag1805x40

Swiss-PDB Viewer can be used for energy minimization- Reason mentioned in the tutorial..

ADD REPLYlink written 6 months ago by prasundutta87160
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