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.