Browse College of Engineering by Contributor "Tajkhorshid, Emad"
Now showing items 1-10 of 10
Methods for increasing model accuracy and simulation time scales of biological processes with molecular dynamics (2016-09-28)This dissertation presents three research projects on novel methods in computational bio- physics. Each of these projects introduces methodologies to extend the capabilities of molecular dynamics simulations in one way or ...
(2016-12-01)The focus in functional and dynamics studies of biomolecules, such as protein or DNA, has been very much on their own structures and energy landscapes. However, in real biological systems, biomolecules are usually modified ...
Molecular understanding of osmosis and a multiscale framework to investigate confined fluid properties (2010-05-14)Understanding the fluid structure and behavior in nanoscale confinements is of major importance in a wide variety of applications including biological and engineering devices. A critical biological application in which the ...
(2016-05-17)Although bacteria are single-celled organisms, they exist in nature primarily in the form of complex communities, participating in a vast array of social interactions through regulatory gene networks. The social interactions ...
(2015-08-28)In spite of significant advances in the detection, separation and counting of single biological molecules (DNA, proteins, aminoacids, etc.) with solid-state nanopores, atomically-resolved scanning and detection of these ...
(2012-09-18)The ability to control a system is at the heart of experimental science. Modern experimental methods have pushed the length scale at which control is possible down to the nanometer level. Indeed, methods for manipulating ...
(2018-06-27)High performance computation and sophisticated machine learning algorithms have emerged as new tools for studying biological, physical and chemical systems at the atomistic scale. In this thesis, I report several applications ...
(2017-06-02)A detailed characterization of the physics of novel nanopore systems has the potential to revolutionize water filtration, nanofluidics, and biomolecule detection technologies. I give my characterizations of five nanopore ...
Selective transport of the nuclear pore complex studied through all-atom and coarse-grained molecular dynamics simulations (2010-01-06)As the only pathways connecting the cell’s nucleus and cytoplasm, nuclear pore complexes (NPCs) enable and control the import and export between cell’s cytoplasm and nucleoplasm. The NPC allows small molecules (<40 KDa) ...
(2011-01-14)Voltage-gated potassium channels are membrane proteins that regulate the ﬂow of K+ ions across the cell membrane. These channels respond to changes in electrostatic potential across the cell membrane, and allow passage of ...