Last modified on 24 August 2012.
Xia Z., Gardner D.P., Gutell R.R., and Ren P. (2010).
Coarse-Grained Model for Simulation of RNA Three-Dimensional Structures.
Journal of Physical Chemistry B, 114:13497-13506.
Manuscript Figures and Tables:
|Figure 2. Superposition of the final snapshot from 10 ns CG simulations (colored green) and native structure (colored blue). The backbones are represented as thick sticks, and the bases are shown as lines.
|Table 1. Properties of Nine CG Particles||HTML|
|Table 2. Bond Stretching Interaction Parameters for the CG Model of RNA Fitted by the Gaussian Function and Obtained from Statistical Structures||HTML|
|Table 3. Bond Angle Interaction Parametiers for the CG Model of RNA Fitted by the Gaussian Function and obtained from Statistical Structures||HTML|
|Table 4. Optimized CG Parameters for Nonbonded Interaction Described by Equation 9, Including Similar and Unlike Pairs of CG Atoms||HTML|
|Table 5. Optimized CG Parameters for the Dihedral Interaction Term Described by Equation 8||HTML|
|Table 6. Comparison of All-Atom Average rmsd's from the Native Crystal Structures for Both the CG Model and the Full-Atom Models||HTML|
|Table 7. Comparison of All-Atom RMSDs between the Final Structures of 100 ns Simulated-Annealing Simulations to Their Native Structures||HTML|