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 email@example.com
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.