pKa Job triazine-pentafluorobenzyl 「№20735」 Details

Inputs

Status
Job ID20735
Job Nametriazine-pentafluorobenzyl
VisibilityPUBLIC
ProtocolpKa
CPU hours used0.5
userptalukdar
StatusDeleted
DaemonTACC.Stampede-3
Description


Submitted time2016-02-18 07:02
Start time2016-02-18 21:51
End time2016-02-19 07:21

DaemonTACC.Stampede-3





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[Input json]
[Output json]


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.