[gmx-users] calculation of pKa

Mon May 23 06:23:48 CEST 2005

Dear Sir,

I am in need to calculate pKa of a protein with around 350 residues and we have very recently obtained DELPHI with insightII.  I am not very sure about how to go about calculation of pKa of titrable groups in the protein at pH ca 7.0 and at 5.0
     Please help me

Balamurugan. R
Bioinformatics centre,
Pondicherry University
India
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