Amit Srivastava and Roee Ben Halevi Contributed equally to this work.
Tensorial elastic network model for protein dynamics: Integration of the anisotropic network model with bond-bending and twist elasticities
Article first published online: 21 AUG 2012
Copyright © 2012 Wiley Periodicals, Inc.
Proteins: Structure, Function, and Bioinformatics
Volume 80, Issue 12, pages 2692–2700, December 2012
How to Cite
Srivastava, A., Halevi, R. B., Veksler, A. and Granek, R. (2012), Tensorial elastic network model for protein dynamics: Integration of the anisotropic network model with bond-bending and twist elasticities. Proteins, 80: 2692–2700. doi: 10.1002/prot.24153
- Issue published online: 1 NOV 2012
- Article first published online: 21 AUG 2012
- Accepted manuscript online: 28 JUL 2012 07:16AM EST
- Manuscript Accepted: 16 JUL 2012
- Manuscript Revised: 3 JUL 2012
- Manuscript Received: 6 MAY 2012
- elastic network models;
- normal mode analysis;
- Gaussian network model;
- anisotropic network model;
- protein data bank;
- bond bending;
- twist elasticity;
- anisotropic displacement parameters
We present a tensorial elastic network model (TNM) to describe the equilibrium fluctuations of proteins near their native fold structure. The model combines the anisotropic network model (ANM), bond bending elasticity, and backbone twist elasticity, and can predict both the isotropic fluctuations, similar to the Gaussian network model (GNM), and anisotropic fluctuations, similar to the ANM. TNM performs equally well for B-factor predictions as GNM and predicts the anisotropy of B-factors better than ANM. The model also outperforms the ANM in its predictability of the complete anisotropic displacement parameters. Proteins 2012; © 2012 Wiley Periodicals, Inc.