Simulation of oriented NMR spectra : combining molecular dynamics and chemical shift tensor calculations
author
Sternberg, Ulrich
Witter, Raiker
statement of authorship
Ulrich Sternberg, Raiker Witter
source
Magnetic resonance in chemistry
publisher
Wiley
year of publication
2023
url
https://doi.org/10.1002/mrc.5403
subject term
aminohapped
molekulaardünaamika
tuumamagnetresonants
keyword
15N chemical shift tensors
chemical shift constraints
D-amino acids
dipolar 1H-15N couplings
gramicidin A
MDOC
molecular dynamics
order parameters
orientational constraints
PISEMA
ISSN
1097-458X
Open Access
Open Access
scientific publication
teaduspublikatsioon
classifier
1.1
TalTech department
küberneetika instituut
language
inglise