Table 2 The contributions of different interaction terms to the agreement with experimental B-factors
From: Generalized spring tensor models for protein fluctuation dynamics and conformation changes
Hessian matrices used | Correlation Coefficient with B-factors | Improvement with respect to ANM |
|---|---|---|
H ANM | 0.53 | 0.00 |
| 0.55 | 0.02 |
| 0.57 | 0.04 |
| 0.57 | 0.04 |
| 0.56 | 0.03 |
| 0.59 | 0.06 |
| 0.58 | 0.05 |
| 0.57 | 0.04 |
| 0.60 | 0.07 |
| 0.54 | 0.01 |
| 0.54 | 0.01 |
| 0.54 | 0.01 |
| 0.56 | 0.03 |
- H
ANM
is the Hessian matrix of ANM.
, 
, 
, and 
are the Hessian matrices of the bond stretching (V1), bond bending (V2), torsional rotation (V3), and non-local interaction (V4) terms, respectively.
, 
, 
, and 
are the Hessian matrices of the bond stretching (V1), bond bending (V2), torsional rotation (V3), and non-local interaction (V4) terms, respectively.