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 6 of 6 for “"computational structural biology"”.
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Computational approaches for the design and prediction of protein-protein interactions
There is a large class of applications in computational structural biology for which atomic-level representation is crucial for understanding the underlying biological phenomena, yet explicit atomic-level modeling is computationally prohibitive. Computational protein design, homology modeling, …
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DEVELOPMENT OF VIRTUAL SCREENING METHODOLOGIES FOR IDENTIFYING RNA-BASED THERAPIES
This thesis focuses on the development of computational methodologies for predicting protein-RNA binding affinities and designing RNA sequences with specific functional outcomes. The research introduces PANTHER (Protein-Affinity for Nucleic Target-binding, Hybridization, and Energy Regression), a …
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INTEGRATIVE MODELLING FOR THE CHARACTERISATION OF THE STRUCTURE AND DYNAMICS OF BIOMOLECULES
This work explores the benefits of integrating computational structural biology techniques with experimental data to overcome the inherent limitations of each approach. Integrative modelling provides a more comprehensive understanding of the structure, dynamics, and function of complex biomolecular …
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Leveraging Local Perturbations to Map Allosteric Networks of Phosphatases
… allosteric site in PTP1B. Lastly, I used computational and molecular modeling to map clinically relevant PTP mutations onto the structures of PTP1B and a close homolog, T-Cell Protein Tyrosine Phosphatase (TCPTP), and uncovered that the mutations likely enact their functional effects by …
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Studies of protein designability using reduced models
<p>One the most important problems in computational structural biology is protein designability, that is, why protein sequences are not random strings of amino acids but instead show regular patterns that encode protein structures. Many previous studies that have attempted to solve the problem have …
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The Interaction of Cofilin with the Actin Filament
… and understand the mechanism of severing. Computational methods, such as protein-protein docking, all atom molecular dynamics: AA MD) simulations, and Coarse Grain MD: CG MD) can help in understanding the interactions between cofilin and F-actin. Iteratively combining these methods with …