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- 3Docking
- 2Clostridium difficile
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- 2Ligand binding
- 4Graduate and Postdoctoral Studies (GPS), Faculty of
- 4Graduate and Postdoctoral Studies (GPS), Faculty of/Theses and Dissertations
- 2Chemistry, Department of
- 2Chemistry, Department of/Journal Articles (Chemistry)
- 1Chemical and Materials Engineering, Department of
- 1Chemical and Materials Engineering, Department of/Research Articles and Materials (Chemical and Materials Engineering)
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A Comprehensive Dynamical Model for Human CaV1.2 Ion Channel: Structural and Functional Studies
DownloadFall 2019
Human CaV1.2 is a voltage-gated calcium channel (VGCC), which plays an essential role to maintain a normal cardiac function. Any abnormalities in CaV1.2 can lead to serious cardiac diseases (e.g. cardiac arrhythmias and Timothy syndrome). Thus, understanding the structure-function-dynamics...
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2011
Dingle, Tanis C., Szpacenko, Adam, Ng, Kenneth K.S., Kitov, Pavel, Klassen, John S., El-Hawiet, Amr, Kitova,Elena N., Mulvey, George L., Eugenio, Luiz, Armstrong, Glen D.
The binding of recombinant fragments of the C-terminal cell-binding domains of the two large exotoxins, toxin A (TcdA) and toxin B (TcdB), expressed by Clostridium difficile and a library consisting of the most abundant neutral and acidic human milk oligosaccharides (HMOs) was examined...
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2011
El-Hawiet, Amr, Klassen, John S., Armstrong, Glen D., Dingle, Tanis C., Eugenio, Luiz, Mulvey, George L., Szpacenko, Adam, Ng, Kenneth K.S., Kitova,Elena N., Kitov, Pavel
The binding of recombinant fragments of the C-terminal cell-binding domains of the two large exotoxins, toxin A (TcdA) and toxin B (TcdB), expressed by Clostridium difficile and a library consisting of the most abundant neutral and acidic human milk oligosaccharides (HMOs) was examined...
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Control of boundary slip by interfacial nanobubbles: A perspective from molecular dynamics simulations
Download2023-01-01
Ynag, Haichang, Zeng, Binglin, Zhang, Xuehua, Xing, Yaowen, Gui, Xiahui, Cao, Yijun
Enhancing boundary slip using interfacial nanobubbles (INBs) has gained significant interest in nanofluidic transport. In this study, we conducted a comprehensive investigation on the influence of INBs on boundary conditions for both smooth and rough substrates using molecular dynamics...
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Spring 2019
Cancer remains a challenging disease to tackle. The heterogeneity and evolution of the disease necessitates the development of diverse approaches to treat cancer. In this thesis, two different approaches have been undertaken to address this issue. The first aim was to activate the master tumor...
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Localization Model description of interfacial dynamics of free-standing nanoparticles and thin films, and nanoparticle on supporting interacting substrate
DownloadFall 2022
Localization model (LM) relates, without any free parameter, slow dynamics of α-relaxation time (τα) to fast dynamics of Debye-Waller Factor (DWF) or ⟨u2⟩, which is the mean square displacement of particles at a caging time on the order of picoseconds. Moreover, localization model can also...
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Molecular Dynamics Simulations Correlating Mechanical Property Changes of Alumina with Atomic Voids under Triaxial Tension Loading
Download2023-05-01
Chang, Junhao, Chen, Zengtao, Hogan, James D.
The functionalization of nanoporous ceramics for applications in healthcare and defence necessitates the study of the effects of geometric structures on their fundamental mechanical properties. However, there is a lack of research on their stiffness and fracture strength along diverse directions...
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Spring 2021
While PrP is almost always found in the glycosylated state, there has been very little study attempting to explore the effects of the size of glycans, the composition of glycans, and the site of glycosylation on the stability of PrP. These effects can potentially play an important role in the...