Search
Now showing items 1-10 of 13
Modifying membrane permeability with ionic liquids
(2017)
Room temperature ionic liquids (ILs) have been proven to have a range of biological applications, from influencing protein folding and structural stability, to affecting enzyme activity, to modifying the permeability profile ...
Investigating the structure and dynamics of the Type IV Pili disassembly motor PilT
(2015)
The pilT motor in the organism Pseudomonas aeruginosa was simulated using molecular dynamics. The structure of the system is hexameric. The entire pilT hexamer as well as the individual monomers were simulated with the ...
Investigation of Ionic Liquid Interactions with a Lipid Bilayer
(2015)
The objective of this research is to understand the fundamental physical processes at play when ionic liquids diffuse into lipid bilayers, and eventually to be able to use molecular models to predict novel ionic liquids ...
Analyzing the Interactions Between Deep Eutectic Solvents (DES) and Insulin
(2018)
Deep eutectic solvents (DES) are liquids that contain Bronsted-Lowry acids and bases as well as ions. There are a wide range of implications that involve the use of DES, ranging from fields such as pharmaceuticals and ...
Analyzing the Impact of Force on the Pseudomonas Aeruginosa Type IV Pilus by Using Steered Molecular Dynamics Simulations
(2019)
Our group is using computer simulations to investigate the strength of bacterial filaments called type IV pili. Type IV pili extend from bacterial cells and are used in a wide variety of functions, including adhesion, ...
Simulating the Mechanism of Elongation in E. Coli Type IV Pili Filaments Using Steered Molecular Dynamics
(2019)
Our group is using computer simulations to investigate the strength of bacterial filaments called type IV pili. Type IV pili extend from bacterial cells and are used in a wide variety of functions, including adhesion, ...
Stabilizing Effect of a Bacterial Lipid Membrane on Type IV Pilin Subunits
(2015)
Type IV pili are thin, long, strong, flexible filaments that are found in gram-positive and gram-negative bacteria. They stretch out from pores in the membrane of the bacteria. These filaments are very important for many ...
Probing the stability of the C-terminal domain of type IV pilins under external force
(2016)
Type IV pili (T4P) are long bio-filaments, assembled from many copies of a protein called pilin, which emanate from the surface of bacterial cells (Fig. 1). They are used to adhere to other surfaces and other cells. T4P ...
Steered Molecular Dynamic Simulations of the Neisseria Meningitidis Type IV Pilus Reveal Structural Changes under Force
(2019)
Our group is using computer simulations to investigate the strength of bacterial filaments called type IV pili. Type IV pili extend from bacterial cells and are used in a wide variety of functions, including adhesion, ...