Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 6 of 6 for “"Langevin Dynamics simulations"”.
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Characterization of nanopores with internal cavities for DNA manipulation using Langevin dynamics simulations
… this geometry is studied using coarse-grained Langevin dynamics. The most striking result is that translocation time through the system is found to be minimal for polymers of medium length: both longer and shorter chains take longer to translocate. The length at which this occurs is named the …
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Exploring Downhill Protein Folding Free Energy Landscapes
… temperature-jump kinetics measurements and Langevin dynamics simulations. A kinetic and thermodynamic survey of multiple WW domain mutants is performed in combination with a model to reveal the correlation between protein stability and downhill folding propensity. A designed histidine …
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Polymer translocation: a nonequilibrium process
3D Langevin dynamics simulations of the capture and translocation of polymers through a nanopore are conducted for several polymer lengths and two different Péclet values (that quantify the drift-diffusion balance of the system). By measuring the average conformation of the polymer and the average …
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Simulation and modelling to develop a nanopore-based device for ricin detection
… of ionic flow through the pore. Molecular dynamics simulations are an effective method of quantitatively and qualitatively studying key design features and mechanisms of current blockage. This work uses coarse-grained Langevin dynamics simulations to explore various aptamer-encoded nanopore …
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Modeling and Experimental Techniques to Demonstrate Nanomanipulation With Optical Tweezers
… key tools must first be developed. We implement Langevin dynamics simulations to model the interaction of nanoparticles with an optical trap. Physically accurate simulations provide a robust platform to test new methods to characterize and improve the performance of optical tweezers at the …
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Two Examples of Ratchet Processes in Microfluidics
… devices, under the guidance of computational simulations. The first chapter provides a brief introduction to ratchet effects, electrophoresis, and swimming cells, topics directly related to the following chapters. The second chapter of this thesis studies the separation of charged spherical …