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 18 of 18 for “"conformational heterogeneity"”.
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Characterization of Monomeric Human Cytochrome P450 3A4 and Cytochrome P450 Reductase in Nanoscale Phospholipid Bilayer Discs
The differences that cause the conformational heterogeneity of CYP3A4 in other solubilization systems have complicated the complete biophysical characterization in comparison to similar soluble bacterial counterparts. The use of a discrete soluble nanoscale phospholipid bilayer system with an …
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Insights into the structure and aggregation of lens crystallins and other aggregation-prone proteins
… oxidative conditions, respectively. Finally, the conformational heterogeneity of model proteins was studied by capillary electrophoresis as a prelude to such studies on the more complex crystallins. Chapter 2 details the structural characterisation of the disulfide-linked gammaS-crystallin dimer, …
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Insights into the structure and aggregation of lens crystallins and other aggregation-prone proteins
… oxidative conditions, respectively. Finally, the conformational heterogeneity of model proteins was studied by capillary electrophoresis as a prelude to such studies on the more complex crystallins. Chapter 2 details the structural characterisation of the disulfide-linked gammaS-crystallin dimer, …
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Elucidating the Structural and Dynamical Properties of the Intrinsically Disordered Protein Nrf2 Using Molecular Dynamics Simulations
… ineffective. The focus was to uncover the conformational landscape of Nrf2’s Neh4 and Neh5 domains, which participate in crucial interactions for complete transcriptional activation. Since Nrf2 is an intrinsically disordered protein (IDP), molecular dynamics simulations were employed to …
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New experimental and theoretical tools for studying protein systems with elements of structural disorder
… such as increased motional freedom and the conformational heterogeneity caused by that. The elements of structural disorder are commonly involved in many important biological functions and are implicated in many diseases. Therefore, the study of disordered proteins has become one of the most …
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Prediction of parallel in-register amyloidogenic beta-structures In highly beta-rich protein sequences by pairwise propensity analysis
… or computational means. In addition, significant conformational heterogeneity is known or suspected to exist in many amyloid fibrils. Recent work has indicated the utility of templates and pairwise probabilistic statistics in betastructure prediction. A new suite of programs, BETASCAN, STITCHER, …
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Fundamental efforts for improving the sensitivity of magnetic resonance force microscopy
… prove all the more valuable to understanding the conformational complexities of protein misfolding diseases and amyloid formation phenomena , caused by complex networks of structural transition reactions linking the monomeric, oligomeric, and polymorphic fibrillar forms of disease-causing …
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Structural and Biochmical Studies of Nuclear Import Factor Karyopherin Beta-2
… and Ran complexes provides understanding of conformational heterogeneity that accompanies ligand binding. The Kapbeta 2 superhelix is divided into three major segments. Two of them (HEAT repeats 9- 13 and 14-18), which constitute the substrate binding site, are rigid elements that rotate …
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Structural studies of the mitochondrial F-ATPase
… of the structure is hampered by the extreme conformational heterogeneity of the F-ATPase. To this end, the simpler Fo membrane domain has been isolated and characterized initially by electron microscopy in negative stain.
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Paracoccus denitrificans as a model system for studying the mechanism of respiratory complex I
… in the so-called ‘active’ state. However, due to conformational heterogeneity, the cryo-EM map was poorly resolved in the membrane domain, preventing detailed structural modelling of the complete enzyme. Finally, single point variants in the Nqo13 (ND4) subunit of complex I were generated to …
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Observing residual structure in disordered peptides with multidimensional infrared spectroscopy
… that one can measure the residual structure and conformational heterogeneity of a putatively disordered sequence. This methodology was first used to study the structure and dynamics of the tryptophan zipper 2 (TZ2) peptide. The TZ2 peptide is a 12 residue engineered sequence that employs the …
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Sequence and structural effects on molecular conductance of bioinspired peptoid oligomers
… (MD) simulations are used to understand the conformational heterogeneity of peptoids. The molecular conformations obtained from MD simulations are used in quantum mechanical calculations based on the non-equilibrium Green’s function–density functional theory (NEGF-DFT) formalism, and the …
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Exploring mechanisms of inhibition and inactivation in voltage-gated sodium channels using molecular simulations
… of using AlphaFold2 to predict different conformational states. Some voltage-sensing domains in the superfamily are consistently generated in one state, whereas others produced a variety of conformations. Notably, one of the Nav channel's four heterologous voltage sensor is predicted in a …
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Exploring mechanisms of inhibition and inactivation in voltage-gated sodium channels using molecular simulations
… of using AlphaFold2 to predict different conformational states. Some voltage-sensing domains in the superfamily are consistently generated in one state, whereas others produced a variety of conformations. Notably, one of the Nav channel's four heterologous voltage sensor is predicted in a …
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Conformation of the U12-U6atac snRNA Complex of the Minor Spliceosome and Binding by NTC-related Protein RBM22
… The minor spliceosome does not exhibit the conformational heterogeneity in the junction found in the major spliceosome. Here we use solution NMR techniques to show that the U12-U6<sub>atac</sub> snRNA complex of both human and <em>Arabidopsis </em>maintain base-pairing patterns similar to …
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Advances in Sensitivity and Resolution of Solid State Nuclear Magnetic Resonance and Dynamic Nuclear Polarization
… loss of spectral resolution due to sample conformational heterogeneity at the cryogenic temperatures required for efficient electron-nuclear polarization transfers. This hinders acquisition of site-specific structural assignments in complex systems. Thus, it is critical to improve DNP …
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Intrinsic Flexibility of West Nile Virus Protease: In Solution Characterization
… WNV NS2B-NS3pro and understand the conformational changes due to substrate binding, we performed Circular dichroism spectroscopy, fluorescence experiments, small angle X-ray scattering (BioSAXS) and Fourier transform infrared spectroscopy (FT-IR) experiments. Our results suggested …
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The photosynthetic bacterial reaction center in native and artificial envirnoments: effects on light-induced electron transfer
… methodology. We showed, in fact, that the RC conformational dynamics, coupled to specific electron transfer processes, can be modulated by varying the hydration level of the trehalose matrix at room temperature, thus allowing to disentangle solvent from temperature effects. The comparison …