Normal mode analysis Gaucher Disease

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Revision as of 02:34, 7 July 2012 by Zhangg (talk | contribs) (Deformation Energies)

Introduction

Technical details are reported in our protocol

WEBnm@

Deformation Energies

"Deformation energies and eigenvalues reflect the energy associated with each mode and are inversely related to the amplitude of the motion described by a the corresponding modes. The protein structure moves along all the normal modes at once. A mode should only be interpreted in isolation if it is energetically well separated from other modes. " - from Webnma@

Below are the values of the deformation energy for modes 7 to 20.

<figtable id="tab:defor_enery">

Mode Index Deformation Energy Mode Index Deformation Energy
7 1663.91 14 6698.31
8 2377.48 15 9791.69
9 2720.71 16 9534.10
10 5191.86 17 10022.74
11 5033.67 18 11137.44
12 6174.70 19 11592.80
13 6360.72 20 12045.03

The deformation energy for modes 7 to 20 for protein structure 2NT0 chain A from Webnma@. </figtable>

<figure id="fig:Eingenvalues_plot">

The Eigenvalues Plot for for protein structure 2NT0 chain A from Webnma@.

</figure>

Atomic Displacement

Correlation Matrix

Mode Visualization

ElNemo