Thread: SHIFTX2: Chemical Shift Prediction
View Single Post
  #1  
Unread 01-10-2012, 06:13 PM
gwnmr's Avatar
gwnmr gwnmr is offline
Junior Member
  
Join Date: Jan 2012
Posts: 3
Points: 202, Level: 4
Points: 202, Level: 4 Points: 202, Level: 4 Points: 202, Level: 4
Level up: 4%, 48 Points needed
Level up: 4% Level up: 4% Level up: 4%
Activity: 50.0%
Activity: 50.0% Activity: 50.0% Activity: 50.0%
NMR Credits: 0
NMR Points: 0
Downloads: 0
Uploads: 0
Post SHIFTX2: Chemical Shift Prediction
SHIFTX2 website

SHIFTX2 is capable of rapidly and accurately calculating diamagnetic 1H, 13C and 15N chemical shifts from protein coordinate data. Compared to its predecessor (SHIFTX) and to other existing protein chemical shift prediction programs, SHIFTX2 is substantially more accurate (up to 26% better by correlation coefficient with an RMS error that is up to 3.3× smaller) than the next best performing program. It also provides significantly more coverage (up to 10% more), is significantly faster (up to 8.5×) and capable of calculating a wider variety of backbone and side chain chemical shifts (up to 6×) than many other shift predictors. SHIFTX2 is available both as a standalone program and as a web server (http://www.shiftx2.ca).

Latest release : Version 1.07 (04 Jan. 2012)
Developed by Dr. Wishart's Lab
Last edited by gwnmr; 01-10-2012 at 06:17 PM.
Reply With Quote

1 out of 1 members found this post helpful. Did you find this post helpful? Yes | No