Dynamics of Unfolded Proteins:  Incorporation of Distributions of Correlation Times in the Model Free Analysis of NMR Relaxation Data

1999 ◽  
Vol 121 (37) ◽  
pp. 8671-8672 ◽  
Author(s):  
Alexei V. Buevich ◽  
Jean Baum
Keyword(s):  
Nmr Relaxation ◽  
Unfolded Proteins ◽  
Relaxation Data ◽  
Correlation Times ◽  
Model Free

scholarly journals A method to construct the dynamic landscape of a bio-membrane with experiment and simulation

2022 ◽  
Vol 13 (1) ◽  
Author(s):  
Albert A. Smith ◽  
Alexander Vogel ◽  
Oskar Engberg ◽  
Peter W. Hildebrand ◽  
Daniel Huster
Keyword(s):  
Molecular Dynamics ◽  
Nmr Relaxation ◽  
Dynamics Simulation ◽  
Comprehensive Description ◽  
Correlation Times ◽  
Wide Range ◽  
Dynamic Landscape ◽  
C Nmr ◽  
Analysis Of Motion

AbstractBiomolecular function is based on a complex hierarchy of molecular motions. While biophysical methods can reveal details of specific motions, a concept for the comprehensive description of molecular dynamics over a wide range of correlation times has been unattainable. Here, we report an approach to construct the dynamic landscape of biomolecules, which describes the aggregate influence of multiple motions acting on various timescales and on multiple positions in the molecule. To this end, we use 13C NMR relaxation and molecular dynamics simulation data for the characterization of fully hydrated palmitoyl-oleoyl-phosphatidylcholine bilayers. We combine dynamics detector methodology with a new frame analysis of motion that yields site-specific amplitudes of motion, separated both by type and timescale of motion. In this study, we show that this separation allows the detailed description of the dynamic landscape, which yields vast differences in motional amplitudes and correlation times depending on molecular position.

Effective rotational correlation times of proteins from NMR relaxation interference

2006 ◽  
Vol 178 (1) ◽  
pp. 72-76 ◽  
Author(s):  
Donghan Lee ◽  
Christian Hilty ◽  
Gerhard Wider ◽  
Kurt Wüthrich
Keyword(s):  
Nmr Relaxation ◽  
Correlation Times ◽  
Rotational Correlation Times ◽  
Rotational Correlation
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