Table of Contents
ANALYSIS
Radius-of-Gyration
B. Comparing static structures
Quantify the results
II. Dynamics Analysis.
A. trajectories of the parameters used to analyze static structures.
Torsion angle trajectories can be of particular interest
A - as a periodic variation
Examples of Autocorrelation
B - as a random variation
The ideal (parent) population
Sort values, then swap
So,..
Fit to two components
Interpretation
Other trajectories of interest
B. Average structure and average structure properties can be calculated.
Model of P.f. rubredoxin (from extreme themophile, grows @ > 100oC)
C. Pattern recognition
(Swaminathan, Ravishanker,
Beveridge, Lavery, Etchebest
& Sklenar, Proteins 1990 8,
179-193).
Dials give...
D. Calculationso of Experimental Properties
X-ray B factors
NMR Order parameters
NMR....
Heat Capacity
Raman Spectroscopy
Neutron scattering...
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Author: John E. Wampler
References for this section
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