Rosetta pKa Protocol

[Submit pKa task]

[pKa Queue]

[pKa Server Documentation]

Please cite the following article when referring to results from our ROSIE server:

  1. Kilambi KP, Gray JJ., "Rapid calculation of protein pKa values using Rosetta". Biophysical Journal. 2012 Aug 8;103(3):587-595. doi: 10.1016/j.bpj.2012.06.044. Link

  2. Lyskov S, Chou FC, Conchúir SÓ, Der BS, Drew K, Kuroda D, Xu J, Weitzner BD, Renfrew PD, Sripakdeevong P, Borgo B, Havranek JJ, Kuhlman B, Kortemme T, Bonneau R, Gray JJ, Das R., "Serverification of Molecular Modeling Applications: The Rosetta Online Server That Includes Everyone (ROSIE)". PLoS One. 2013 May 22;8(5):e63906. doi: 10.1371/journal.pone.0063906. Print 2013. Link

Modeling tools developed by Krishna Praneeth Kilambi at GrayLab@JHU. The Rosie implementation was developed by Sergey Lyskov.

We welcome scientific and technical comments on our server. For support please contact us at Rosetta Forums with any comments, questions or concerns.