DelphiPKA 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

User Manual can be found here

If the use of DelPhiPKa results to a publication, please cite the following references:

1. Lin Wang, Lin Li, and Emil Alexov. "pKa predictions for proteins, RNAs and DNAs with the Gaussian dielectric function using DelPhiPKa." Proteins. (2015) Sep 26, doi: 10.1002/prot.24935

2. Lin Wang, Min Zhang, and Emil Alexov. "DelPhiPKa Web Server: Predicting pKa of proteins, RNAs and DNAs." Bioinformatics. (2015) Oct 29, doi: 10.1093/bioinformatics/btv607