1,2,3,4-Tetrahydro-1,4-methanonaphthalenes as model compounds to study the influence of molecular structure on molecular dynamics by 13C NMR relaxation data

1998 ◽  
pp. 2159-2164 ◽  
Author(s):  
Petra Gruhlke ◽  
Andreas Dölle
Keyword(s):  
Molecular Structure ◽  
Molecular Dynamics ◽  
13C Nmr ◽  
Nmr Relaxation ◽  
Relaxation Data ◽  
Model Compounds

Helix motion in protein C12A-p8MTCP1: Comparison of molecular dynamics simulations and multifield NMR relaxation data

2002 ◽  
Vol 23 (16) ◽  
pp. 1577-1586 ◽  
Author(s):  
Philippe Barthe ◽  
Christian Roumestand ◽  
Hélène Déméné ◽  
Laurent Chiche
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nmr Relaxation ◽  
Relaxation Data ◽  
Dynamics Simulations

scholarly journals Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13C NMR spin relaxation: conformational preferences of α-l-Rhap-α-(1 → 2)-α-l-Rhap-OMe in water and dimethyl sulfoxide solutions

2016 ◽  
Vol 18 (4) ◽  
pp. 3086-3096 ◽  
Author(s):  
Robert Pendrill ◽  
Olof Engström ◽  
Andrea Volpato ◽  
Mirco Zerbetto ◽  
Antonino Polimeno ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Stochastic Modeling ◽  
Spin Relaxation ◽  
13C Nmr ◽  
Nmr Relaxation ◽  
Glycosidic Linkage ◽  
Local Motion ◽  
Flexible Molecule ◽  
Relaxation Parameters ◽  
Conformational Preferences

Coupling between global reorientation and local motion is essential for reproducing NMR relaxation parameters of a flexible molecule.

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