Modeling and simulation of biological self-assembly structures from nanoscale entities.
Many natural and biological systems are formed by the process of molecular self-assembly. Molecular self-assembly is defined as the spontaneous organization of molecules under thermodynamic equilibrium conditions into structurally well defined and rather stable arrangements. In this paper, we developed a novel computational methodology to investigate the self-assembly process of simple 1-D structures representing protein monomers into long filaments, rings, pyramids, bundles, etc. Based on the preliminary results obtained, the methodology was extended to mimic the microtubule self-assembly, which occurs in all eukaryotic cells.
Pidaparti
Ramana M
RM
Department of Mechanical Engineering, Virginia Commonwealth University, Richmond, Virginia 23284, USA.
Primeaux
David
D
Saunders
Brandon
B
D000465:Algorithms; D003198:Computer Simulation; D049329:Nanostructures