methyl group dynamics
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The influence of structure on the methyl group dynamics of polymorphic complexes: 6,6′-dimethyl-2,2′-dipyridyl with halo derivatives of benzoquinone acids

CrystEngComm ◽  
2020 ◽  
Vol 22 (41) ◽  
pp. 6811-6821
Author(s):  
Magdalena Rok ◽  
Marcin Moskwa ◽  
Przemysław Dopieralski ◽  
Wojciech Medycki ◽  
Michaela Zamponi ◽  
...  
Keyword(s):  
Structural Analysis ◽  
Neutron Scattering ◽  
Computational Methods ◽  
Group Dynamics ◽  
Molecular Complexes ◽  
Methyl Group ◽  
H Nmr ◽  
Derivatives Of ◽  
Methyl Group Dynamics

The structural analysis, neutron scattering, 1H NMR and computational methods combined to investigate new molecular complexes.

Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields

2018 ◽  
Vol 122 (19) ◽  
pp. 5038-5048 ◽  
Author(s):  
Falk Hoffmann ◽  
Frans A. A. Mulder ◽  
Lars V. Schäfer
Keyword(s):  
Group Dynamics ◽  
Force Fields ◽  
Methyl Group ◽  
Amber Force Fields ◽  
Methyl Group Dynamics

Diversity of methyl group dynamics in felodipine: a DFT supported NMR and QENS study

CrystEngComm ◽  
2018 ◽  
Vol 20 (45) ◽  
pp. 7371-7385 ◽  
Author(s):  
Aleksandra Pajzderska ◽  
Kacper Drużbicki ◽  
Miguel Angel Gonzalez ◽  
Jacek Jenczyk ◽  
Jadwiga Mielcarek ◽  
...  
Keyword(s):  
Neutron Scattering ◽  
Group Dynamics ◽  
Methyl Group ◽  
Structure Dynamics ◽  
Methyl Group Dynamics ◽  
Stable Polymorph

Computationally-supported NMR and neutron scattering experiments were combined to provide new insights into the structure–dynamics relationship in the most stable polymorph of felodipine.

scholarly journals Narrowing the gap between experimental and computational determination of methyl group dynamics in proteins

2018 ◽  
Vol 20 (38) ◽  
pp. 24577-24590 ◽  
Author(s):  
Falk Hoffmann ◽  
Mengjun Xue ◽  
Lars V. Schäfer ◽  
Frans A. A. Mulder
Keyword(s):  
Protein Dynamics ◽  
Group Dynamics ◽  
Nmr Relaxation ◽  
Md Simulations ◽  
Relaxation Data ◽  
Methyl Group ◽  
Methyl Group Dynamics

A synergistic analysis of methyl NMR relaxation data and MD simulations identifies ways to improve studies of protein dynamics.

scholarly journals Effect of subdomain interactions on methyl group dynamics in the hydrophobic core of villin headpiece protein

2013 ◽  
Vol 23 (2) ◽  
pp. 145-156 ◽  
Author(s):  
Liliya Vugmeyster ◽  
Tien Do ◽  
Dmitry Ostrovsky ◽  
Riqianq Fu
Keyword(s):  
Group Dynamics ◽  
Hydrophobic Core ◽  
Villin Headpiece ◽  
Methyl Group ◽  
Methyl Group Dynamics

scholarly journals Computational study of methyl group dynamics in the hydroquinoneclathrate of acetonitrile

2012 ◽  
Vol 14 (5) ◽  
pp. 1570-1572 ◽  
Author(s):  
Alexandra Nemkevich ◽  
Ben Corry ◽  
Mark A. Spackman
Keyword(s):  
Group Dynamics ◽  
Computational Study ◽  
Methyl Group ◽  
Methyl Group Dynamics

scholarly journals Toward a Predictive Understanding of Slow Methyl Group Dynamics in Proteins

2011 ◽  
Vol 101 (4) ◽  
pp. 910-915 ◽  
Author(s):  
Dong Long ◽  
Da-Wei Li ◽  
Korvin F.A. Walter ◽  
Christian Griesinger ◽  
Rafael Brüschweiler
Keyword(s):  
Group Dynamics ◽  
Methyl Group ◽  
Predictive Understanding ◽  
Methyl Group Dynamics

Methyl Group Dynamics in Polycrystalline and Liquid Ubiquinone Q0Studied by Neutron Scattering

2009 ◽  
Vol 113 (4) ◽  
pp. 916-922 ◽  
Author(s):  
Christoph Smuda ◽  
Sebastian Busch ◽  
René Schellenberg ◽  
Tobias Unruh
Keyword(s):  
Neutron Scattering ◽  
Group Dynamics ◽  
Methyl Group ◽  
Methyl Group Dynamics
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