Journal of Molecular Biology
Regular ArticleNormal Mode Analysis of G-actin
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Brownian dynamics simulations of the interactions between lactate dehydrogenase (LDH) and G- or F-Actin. Part I: Muscle and heart homo-isoforms
2020, Scientific AfricanCitation Excerpt :This structure (1ATN) was missing residues 373–375. The missing residues were added using the coordinates as described by Tirion et al. [31] The resulting sequence of rabbit actin crystal structure (PDB entry1ATN) matches perfectly with sequences of mammal actin: pig (P68137), rabbit (P68135), human (P68133), and rat (P68136) available in SWISS-PROT [10]. F-actin was modeled as a hexamer based on the Holmes model [32] to save computational resources; a full turn is 13 subunits.
Symmetry in normal modes and its strong dependence on symmetry in structure
2017, Journal of Molecular Graphics and ModellingCitation Excerpt :The low density of modes at these two regions explains why these modes are more resistant to degeneracy and why they are able to preserve most of their symmetricity. In our previous work, we have shown that the vibrational spectrum is universal to all proteins [35,36,58–60]. That is, all proteins share a highly similar frequency distribution.
Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods
2015, Journal of Molecular Graphics and ModellingActin mechanics and fragmentation
2015, Journal of Biological ChemistryCitation Excerpt :Filament mechanical properties are determined by the strength and distribution of intersubunit contacts (24). Subunit compliance and compressibility (28, 29) presumably play a role in overall filament mechanics. However, mathematical and computational models that treat filament subunits as incompressible entities capture the reported mechanical parameters with reasonable accuracy (24, 25).
Evaluation of extensional and torsional stiffness of single actin filaments by molecular dynamics analysis
2010, Journal of Biomechanics