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 16 of 16 for “"conformational equilibrium"”.
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Molecular determinants regulating Bruton’s tyrosine kinase activity and their mechanism: a combined computational and experimental approach
… how the domains in Btk interact to shift its conformational equilibrium between active and inactive states. Moreover, in-spite of high homology between the catalytic centers of Btk and other well-studied protein tyrosine kinases such as Src, the regulatory mechanisms of these kinases appear to …
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Multi-Scale Structure and Dynamics of Visual Signaling in Drosophila Photoreceptor Cells
… are linked through pairwise coupling with a conformational equilibrium—a generic property found in all proteins—and not each other. These results show that this approach can be successful in revealing novel design principles in complex evolved systems.
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Conformational Dynamics of K-Ras and H-Ras Proteins: Is There Functional Specificity At The Catalytic Domain?
… mutations at the same location perturb the conformational equilibrium differently in H-ras and K-ras and that an enhanced oncogenic potential may arise from different structural perturbations for each point mutation of a specific isoform.</p>
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Part I: Search for a correlation between molecular structure and mesogenicity. Part II: Cotton effects of α,β-unsaturated diesters
… in the maleate esters, and in terms of a conformational equilibrium between cisoid and transoid rotamers in the cases of dibornyl acetylenedicarboxylate and in dibornyl and dimenthyl fumarate.</p>
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Computational prediction of allosteric nucleic acids
… species (aptamers) have been shown to undergo conformational changes in the presence of ligands, and have been adapted to function as biosensors. We were interested in whether the secondary structures of aptamers could be rationally engineered to undergo ligand dependent conformational changes. …
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Computational and Pharmacological Approaches to Design Novel Allosteric Thymidylate Synthase Inhibitors
… active site targeted drugs. Human TS exists in conformational equilibrium between active and inactive states. Exploiting the structural differences in different conformations of hTS, an alternate mechanism to combat resistance was hypothesized: allosteric inhibitors that stabilize the inactive …
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Tau Aggregation, Conformational Selection, and Inhibition
… Tau exists as a disordered monomer in dynamic conformational equilibrium. This solution-phase heterogeneity could, in part, explain conformational diversity of Tau fibrils.</p> <p>A homogeneous set of Tau fibrils transitioned to a new heterogeneous population of conformers after multiple cycles …
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Synthesis and conformational study of trans-2-aminocyclohexanol-based pH-triggered molecular switches and their application in gene delivery
… neighboring hydroxyl groups, which triggers a conformational flip, and forces changes of the relative position of other substituents on the ring. In this work, a library of TACH-lipids has been designed and built based on structural modifications of both hydrophilic headgroups and hydrophobic …
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The mechanism of Parkin activation by PINK1 phosphorylation
… investigation of the newly discovered equilibrium in unmodified Ub. $\\$ To address the mechanism of Parkin activation and open new avenues for translational research, both dynamic and crystallographic approaches were employed. Hydrogen–deuterium exchange mass spectrometry reveals that …
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Biochemical and Biophysical Characterization of the Allosteric Equilibrium of the Wiskott-Aldrich Syndrome Protein
… where intramolecular interactions modulate the conformational equilibrium between an uninhibited, inactive state and an active state. Relief of autoinhibition then requires that covalent modification or binding events shift the equilibrium to favor the active state. However, the structural, …
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Structural Studies of Recombinant Human β-casein proteins
… OP protein in that it undergoes a possible conformational change at a certain temperature, which leads to the subsequent significant aggregation of the molecule. On the other hand, m+4 shows some properties which are very different from the native OP. Some minor self-association of the …
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Structural and Biochemical Investigation of Fanconi Anemia Pathway Activation
… Thus, phosphomimetic mutations shift the conformational equilibrium of D2-I towards a closed state. Moreover, I observed that in the presence of DNA, phosphomimetic and wild-type D2-I exist in both open and closed states, however phosphomimetic D2-I has a higher preference for the closed …
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Computational study of the structure and function of membrane transport proteins
… from the sugar porter family by employing non-equilibrium MD simulation and determining the free energy landscape associated with the so called IF–OF transition. Employing the information from the free energy calculations and equilibrium MD simulations from the members of the sugar porter …
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Characterising the conformational dynamics of β₁-adrenergic receptor activation and G protein coupling
… binding into an orthosteric pocket induces conformational changes in a highly interconnected allosteric activation network which enables coupling to intracellular signalling partners, including selective coupling to specific G protein α-subtypes. Investigations in solution by nuclear …
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Spectroscopic investigation of phytochromes and NIR fluorescent variants
… are not homogeneous, but instead exist as conformational equilibria of sub-states (I, II). As shown in this work, the distribution between Pfr-I and Pfr-II in plant phytochromes is affected i.a. by the N-terminal extension and binding of PIF proteins (phytochrome interaction factors), which …