Mostafa is working on developing a computer program that models a process called nanopore translocation. This process involves forcing molecules through a tiny pore (nanpore), to help identify the molecular structure by monitoring physical properties of the molecule, such as fluctuations in the electrical currents on both sides of a membrane. This work is based on recent experimental work that has shown that it may be possible to sequence DNA molecules (that is, determine the molecular structure), by threading a piece of DNA through a nanopore, then determining the sequence (structure) from the electrical fluctuations.
This proposed technique has inspired a number of theoretical studies of this translocation of complex molecules. As more details of the physical properties are discovered, it is possible to create a computer program to model the process, providing important information that will guide the development of the technology. Mostafa’s work has focused on modeling a process that forms a barrier to the translocation, and he has written a program based on measurements of the free energy barrier using Monte Carlo simulation methods and a “Multiple Histogram” procedure. The results will be used to test predictions of existing theories.
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