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Tensorial elastic network model for protein dynamics: Integration of the anisotropic network model with bond‐bending and twist elasticities
Author(s) -
Srivastava Amit,
Halevi Roee Ben,
Veksler Alexander,
Granek Rony
Publication year - 2012
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/prot.24153
Subject(s) - anisotropy , gaussian network model , isotropy , predictability , statistical physics , elasticity (physics) , gaussian , network model , twist , bending , physics , computer science , mathematics , optics , geometry , thermodynamics , artificial intelligence , quantum mechanics
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.