Is it necessary to minimize homology model for docking and cavity volume studies?

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.

minimizartion cavity-volume

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updated 4.8 years ago by Ram

• written 12.1 years ago by mallikav •

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