Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 554 for “"Conformations"”.
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Spectroscopic Studies of Molecular Conformations
The vibrational spectra of a series of diesters of fumaric and maleic acids and also of substituted butadienes have been investigated over a range of temperatures and phases. The effects on infrared and Raman spectra of altering the temperature and phase of these compounds (using matrix isolation …
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Structure and conformations of heteropolysaccharides
… magnetic resonance in the investigation of conformations adopted by polysaccharides in solution and the types of junctions that can be involved, are considered. Various solid state conformations adopted by hyaluronate have been studied by Xray diffraction techniques. A four-fold helical …
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Conformations of semiflexible polymers and filaments
… the filaments from experimentally observable conformations of the filaments.
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Analysis of molecular conformations using relative planes
… molecule with many energetically accessible conformations. In this research an innovative approach to calculate the relative displacement and orientation of every possible pair of rings in a given molecule was designed, tested, and implemented in the "Planes" program. Planes were defined from …
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Computational Studies of Glycan Conformations in Glycoproteins
… Contrary to the common belief that the glycan conformations are independent to the protein structure, it appears that the protein structure can significantly affect the glycan structure upon glycosylation. This observation is significant because it may provide insight into protein-glycan …
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Electronic and solvent effects on monosaccharide conformations
… phases in glycolipids. The preference for gauche conformations has been attributed to solvent effects, stereo-electronic effects and hydrogen bonding; yet the experimentally obtained hydroxymethyl rotational populations have not yet been fully rationalised. In this dissertation, I have used a …
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Electronic and solvent effects on monosaccharide conformations
… phases in glycolipids. The preference for gauche conformations has been attributed to solvent effects, stereoelectronic effects and hydrogen bonding; yet the experimentally obtained hydroxymethyl rotational populations have not yet been fully rationalised. In this dissertation, I have used a range …
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Machine learning of molecular conformations, kinetics and beyond
… simulation, and their applications on learning conformations and kinetics for molecular systems. First, I present a deep-learning based accelerated sampling framework termed “Molecular Enhanced Sampling with Autoencoders” (MESA) that utilizes high-variance collective variables (CVs) to guide …
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The Influence of Osmolytes on Nucleic Acid Helical Conformations
… presence of macromolecular crowding agents, the conformations shifted to more A-form like while in the presence of osmolytes the conformations shifted to more B-form like. These results suggest that the accessibility of the helical grooves for a given hybrid sequence may be modulated by the …
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Syntheses, bioactivities and conformations of peptidomimetics containing 2,3-methanoamino acids
… to leucine aminopeptidase digestion. Solution conformations of the peptidomimetics were investigated by NMR. Incorporation of 2,3-methanoamino acids into peptides induced NMR observable conformational rigidity. This was evident from: (i) interresidue ROE crosspeaks centered at the methanologs; …
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Metal ion cages with stabilized conformations : synthesis, characterization and properties
The stabilized conformers lel₃, lel₂ob, ob₂lel and ob₃ of the [Co(±pn)₃]³⁺ system have previously been synthesized giving relative equilibrium (100 °C) amounts of 35.0 : 41.1 : 18.0 : 4.0. With the recent encapsulation of the resolved lel₃-[Co(pn)₃₋]Cl₃ complexes, and their subsequent …
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Nuclear Export Receptor CRM1 Recognizes Nuclear Export Signals with Diverse Conformations
… adopting either helix-strand or mostly extended conformations while the CRM1 groove remains unchanged. The plasticity of CRM1-NES interaction and the repertoire of NES conformations were unclear. Many NES sequences also seem incompatible with the asymmetric and seemingly structurally invariant …
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Phosphorylation Bar Codes Induce Distinct Conformations and Functionalities of beta-Arrestin
… that beta-arrestin1 is able to adopt distinct conformations in response to different phosphorylation patterns. Futhermore, a striking difference is observed in the conformation of V2Rpp-bound beta-arrestin1 when compared to beta-arrestin2, namely the flexibility of the inter-domain hinge …
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Regulatory domains of the Arf GEF Sec7 scaffold autoinhibited and active conformations
… in equilibrium between active and autoinhibited conformations governed by the affinity of the GEF-HDS2 interaction, the D-loop, and the membrane.
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Conformational modeling of neurokinins: Proposed bio-active conformations for different receptor subtypes
The conformations of selective analogues of neurokinins, which share a common C-terminal sequence of Phe-X-Val-Gly-Leu-Met-NH$\sb2$ (where X may be Phe or Val), have been analyzed using Monte Carlo (MC) and high temperature molecular dynamics (MD) techniques. A qualitative model for binding at the …
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Developing a triangular tessellation method for the analysis of medium ring pucker conformations
… but also to quantitatively characterise the conformations of 6-, 7- and 8-membered rings in general, both from experimental and computational studies.
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Discovery Of Inactive E* Conformations In Thrombin And Other Vitamin K- Dependent Clotting Proteases
… enzyme exists in dynamic equilibrium between two conformations, E* and E. Structural and kinetic studies indicate that E is the active form of the enzyme responsible for its catalytic properties while E* is an inactive conformation that features a collapsed active site cleft, a disrupted oxyanion …
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