Sep 042015
 

PropKa 3.1 / PropKa GUI R6

:: DESCRIPTION

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

PropKa GUI is a TCL plugin for the Visual Molecular Dynamics (VMD) software

::DEVELOPER

Jensen Research Group

:: SCREENSHOTS

PropKa

:: REQUIREMENTS

:: DOWNLOAD

 PropKaPropKa GUI

:: MORE INFORMATION

Citation

Olsson, Mats HM, Chresten R. Søndergaard, Michal Rostkowski, and Jan H. Jensen.
PROPKA3: consistent treatment of internal and surface residues in empirical pKa predictions.
Journal of Chemical Theory and Computation 7, no. 2 (2011): 525-537.

Graphical analysis of pH-dependent properties of proteins predicted using PROPKA.
Rostkowski M, Olsson MH,Søndergaard CR, Jensen JH.
BMC Struct Biol. 2011 Jan 26;11:6. doi: 10.1186/1472-6807-11-6.

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