Modeling and Simulation of Nanoscale Self-Assembly Structures

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 develo...

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Bibliographic Details
Main Authors: Pidaparti, R.M., Primeaux, D., Saunders, B.
Format: Conference Proceeding
Language:English
Subjects:
actual entities
Biological materials
Biological system modeling
Biological systems
Biology computing
Computational modeling
Computer science
modeling
Nanobioscience
nanoscale
Nanostructures
Protein engineering
Self-assembly
simulation
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Summary: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, currently, the methodology is being extended to mimic the microtubule self-assembly, which occurs in all eukaryotic cells.
ISSN:1944-9399
1944-9380
DOI:10.1109/NANO.2006.247553