Computational Biophysics & Bioinformatics - Dr. Emil Alexov Group



DelPhiPKa protonation and pKa calculation web server


Delphi-PKA is a DelPhi-based C++ program, allowing to predict pKa's for ionizable groups in proteins, RNA and DNA.

Unique approach stems from:
    a) Use gaussian-based smooth function to mimic conformational changes associated with ionization changes.
    b) Calculate the electrostatic energy without defining molecular surface.

For questions and help, visit http://compbio.clemson.edu/forum/ or email to delphi@g.clemson.edu

Source code and installation files are on DelPhiPKa Github Page. User Manual can be found here.

If the use of DelPhiPKa results to a publication, please cite these references.



Please ensure that the file size doesn't exceed 20MB.
Enable this will dramatically increase the running time


9,807 Total views.