Question: Is it necessary to minimize homology model for docking and cavity volume studies?
gravatar for mallikav
6.3 years ago by
United States
mallikav0 wrote:


I wish to study the substrate binding pocket volume, area etc.

Also protein-small molecule interaction studies ..

the protein modelled via swissmodel-automated mode..(template-target similarity 94%)

What method you suggest in order to get a clear picture of structural studies.

How molecular dynamic simulation will help my studies?

I also wish to go for some quantum mechanics approach.

As a beginner in this field, it will be very helpful, if u can give some suggestions.


cavity volume minimizartion • 1.3k views
ADD COMMENTlink modified 6.1 years ago by Biostar ♦♦ 20 • written 6.3 years ago by mallikav0
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