Tensorial elastic network model for protein dynamics: Integration of the anisotropic network model with bond‐bending and twist elasticities |
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| Authors: | Alexander Veksler Rony Granek |
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| Institution: | 1. The Stella and Avram Goren‐Goldstein Department of Biotechnology Engineering, Ben‐Gurion University of The Negev, Beer Sheva 84105, Israel;2. The Ilse Katz Institute for Meso and Nanoscale Science and Technology, Ben‐Gurion University of The Negev, Beer Sheva 84105, Israel |
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| Abstract: | 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. |
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| Keywords: | elastic network models normal mode analysis Gaussian network model anisotropic network model protein data bank bond bending twist elasticity anisotropic displacement parameters |
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