Molecular dynamics simulations on PGLa using NMR orientational constraintsSternberg, Ulrich; Witter, RaikerJournal of biomolecular NMR2015 / p. 265-274 : ill http://dx.doi.org/10.1007/s10858-015-9983-y

Simulation of oriented NMR spectra : combining molecular dynamics and chemical shift tensor calculationsSternberg, Ulrich; Witter, RaikerMagnetic resonance in chemistry2023 https://doi.org/10.1002/mrc.5403