Question: How to calculate pH of Protein structure?
gravatar for dasdevashishdas
23 months ago by
dasdevashishdas120 wrote:

I want to do constant pH MD for an enzyme. For the analysis, I want to know, is there any way to calculate pH of static pdb structure? I have pKa (individual residue) and charge (whole protein).

PS: I already did the simulation using, H++ server and Gromacs.

protein-structure ph • 479 views
ADD COMMENTlink modified 21 months ago by Biostar ♦♦ 20 • written 23 months ago by dasdevashishdas120
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