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Full-Text Articles in Theory and Algorithms
Toward Improving Understanding Of The Structure And Biophysics Of Glycosaminoglycans, Elizabeth K. Whitmore
Toward Improving Understanding Of The Structure And Biophysics Of Glycosaminoglycans, Elizabeth K. Whitmore
Electronic Theses and Dissertations
Glycosaminoglycans (GAGs) are the linear carbohydrate components of proteoglycans (PGs) that mediate PG bioactivities, including signal transduction, tissue morphogenesis, and matrix assembly. To understand GAG function, it is important to understand GAG structure and biophysics at atomic resolution. This is a challenge for existing experimental and computational methods because GAGs are heterogeneous, conformationally complex, and polydisperse, containing up to 200 monosaccharides. Molecular dynamics (MD) simulations come close to overcoming this challenge but are only feasible for short GAG polymers. To address this problem, we developed an algorithm that applies conformations from unbiased all-atom explicit-solvent MD simulations of short GAG polymers …
Topographic Signatures Of Geodynamics, Samuel G. Roy
Topographic Signatures Of Geodynamics, Samuel G. Roy
Electronic Theses and Dissertations
The surface of the Earth retains an imperfect memory of the diverse geodynamic, climatic, and surface transport processes that cooperatively drive the evolution of Earth. In this thesis I explore the potential of using topographic analysis and landscape evolution models to unlock past and/or present evidence for geodynamic activity. I explore the potential isolated effects of geodynamics on landscape evolution, particularly focusing on two byproducts of tectonic strain: rock displacement and damage. Field evidence supports a strong correlation between rock damage and erodibility, and a numerical sensitivity analysis supports the hypothesis that an order of magnitude weakening in rock, well …