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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 ...
Investigating the impact of alanine mutations on the strength and stability of the E. coli CS20 pilus
(2022)
CS20 is a type I pilus found in enterotoxigenic E. coli that facilitates attachment of the bacterial cell to the intestinal lining. CS20 pili must endure large forces that effect the filament structure. We explore the ...
Probing the strength and stability of wild type and mutated N. gonorrhoeaetype IV pili
(2022)
Neisseria gonorrhoeae (Ng) is a gram negative bacteria that causes the well known disease gonorrhea by infecting the mucus membrane of the reproductive system. One of the structures Ng utilize to interact with the environment ...
Studying the biophysical differences between mutants of Escherichia coli CFA/I pili
(2022)
Diarrheagenic (enterotoxigenic) Escherichia coli (E. coli) can cause diarrhea and mortality. "The WHO Global Burden of Foodborne Diseases report estimates that > 300 million illnesses and nearly 200,000 deaths are caused ...
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, ...