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.
Results
Showing 1 to 10 of 10 for “"structural bioinformatics"”.
-
Identification and structural bioinformatics of druggable proteins in schistosoma species
Schistosomiasis is a debilitating disease caused by a parasitic flatworm found in freshwater. After malaria, this disease is the second most prevalent disease in Africa and is endemic in both tropical and sub-tropical regions of the world. Morbidity and mortality attributed to this disease are very …
-
Membrane protein conformational dynamics and ligand-binding interactions in bacterial glycoconjugate biosynthesis
… have made progress in this regard, but dynamic structural features remain difficult to study. Small membrane proteins, such as those responsible for bacterial glycosylation, remain challenging to structurally characterize at all. Bacterial glycan synthesis pathways are essential for cell …
-
Predicting protein residue-residue contacts and disorder
… and challenging problem in the field of Structural Bioinformatics. A principle difficulty has been in efficiently exploring the large number of possible shapes, or conformations, that a protein's chain can assume. To gain traction on this problem, the use of additional sources of …
-
Computational modeling of protein-protein and protein-peptide interactions
… play a central role in various aspects of the structural and functional organization of the cell. While the most complete structural characterization is provided by X-ray crystallography, many biological interactions occur in complexes that will not be amenable to direct experimental analysis. …
-
Analysis and Redesign of Protein-Protein Interactions: A Hotspot-Centric View
… for binding. Analysis of the protein database by structural bioinformatics shows that, although rare, this motif is present in other naturally evolved interfaces. Such a triad was found in the homodimeric interface of PH0642 from Pyrococcus horikoshii, and is conserved between many homologues in …
-
Using Protein-Likeness to Validate Conformational Alternatives
… tasks. As a result, much of the field of structural biology is mired in a static perspective; indeed, most attempts to naively model increased structural flexibility still end in failure.</p><p>This document details my work to validate alternative protein conformations beyond the primary …
-
Analysis and Error Correction in Structures of Macromolecular Interiors and Interfaces
… models. This recent increase in the amount of structural data allows for more extensive explication of the governing principles of macromolecular folding and association to complement traditional studies focused on a single molecule or complex. PDB-wide characterization of structural features …
-
Statistical Analysis of Biological Interactions from Homologous Proteins
Information fusion aims to develop intelligent approaches of integrating information from complementary sources, such that a more comprehensive basis is obtained for data analysis and knowledge discovery. Our Protein Biological Unit (ProtBuD) database is the first database that integrated the …
-
Computational analyses of small molecules activity from phenotypic screens
… These models rely on the principle that two structurally similar compounds are likely to have the same target. In Chapter 3 of this thesis, it was shown that structural similarity and the similarity in phenotypic activity are correlated, and the fraction of phenotypically similar compounds …