Computational Biophysics & Bioinformatics - Dr. Emil Alexov Group



Please do not submit files with more than 60 titratable residues since their computation exceeds the wall time of the cluster. Instead download and install DelPhiPKa on your computer.

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.


Click on the following links to obtain a sample PDB file along with a table with predicted results. This is for training purposes.

 


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


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