Computational Biophysics & Bioinformatics - Dr. Emil Alexov Group



If you have used the server in the period July 09, 2019 until July 17, 2019 and your PDB file had missing heavy atoms, the results were compromised, which has been been fixed now. If you submitted a PQR file or a file with no missing heavy atoms, the results are fine

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, 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


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