Date of Award
2015
Document Type
Thesis
Degree Name
M.S. in Physics
Department
Physics and Astronomy
First Advisor
Kevin Beach
Second Advisor
Cecille Labuda
Third Advisor
Luca Bombelli
Relational Format
dissertation/thesis
Abstract
Langevin dynamics was used to model the folding and unfolding of simple, hairpin-like biomolecules whose ends are attached to laser-trapped beads, as occurs in optical tweezers experiments. The Langevin process was evolved numerically, using parameters motivated by real experimental systems. Folding trajectories were generated and analyzed to extract the folding rate as a function of the force applied to the beads. The observed rate was compared to the analytical predictions of Kramers' theory. Strong discrepancies were noted. The failure of the Kramers' theory was attributed to the slow dynamical response of the beads, which it does not account for. The results of this work highlight the necessity to include in the modeling the experimental systems that mediate force along the length of the biomolecule.
Recommended Citation
Kabir, Md Adnan, "Biomolecular Folding Rates As Understood From Single-Reaction-Coordinate Langevin Dynamics And Kramers’ Theory" (2015). Electronic Theses and Dissertations. 1114.
https://egrove.olemiss.edu/etd/1114