CH3SHIFT

CH3/methyl chemical shift predictor


Synopsis

Structure-based prediction of protein methyl group chemical shifts.

Description

CH3Shift is a structure-based prediction of protein methyl group chemical shifts.  The terms considered in the predictions take account of ring current, magnetic anisotropy, electric field, rotameric type, and dihedral angle effects, which are considered in conjunction with polynomial functions of interatomic distances.

URL

http://www-sidechain.ch.cam.ac.uk/CH3Shift/

Versions

NMRbox Version Software Version
1.0.0 Downloaded_2015-11-13,
2.0.0 Downloaded_2015-11-13,
3.0.0 Downloaded_2015-11-13,

Keywords

  • Chemical Shift Prediction

Citations

Structure-based prediction of methyl chemical shifts in proteins
Vendruscolo Michele, Sahakyan Aleksandr B, Vranken Wim F, Cavalli Andrea,
Journal of biomolecular NMR. 2011; 50(4): 331--346