Energy minimization of protein
1
1
Entering edit mode
9.6 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

software-error • 4.5k views
ADD COMMENT
0
Entering edit mode

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

ADD REPLY
0
Entering edit mode

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

ADD REPLY
0
Entering edit mode
ADD COMMENT

Login before adding your answer.

Traffic: 1432 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6