Question: Energy minimization of protein
1
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 rscb.org 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
0
gravatar for ag1805x
20 months ago by
ag1805x40
India
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- http://spdbv.vital-it.ch/energy_tut.html Reason mentioned in the tutorial..

ADD REPLYlink written 6 months ago by prasundutta87160
Please log in to add an answer.

Help
Access

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.
Powered by Biostar version 2.3.0
Traffic: 558 users visited in the last hour