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 5 of 5 for “"docking models"”.
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Computational Molecular Docking Models and Design of Diarylpentanoids for the Androgen Receptor
… to the DBD and positive binding in both binding models of the LBD. Further analysis of the models indicates the presence of a new binding pocket, hereby referred to as the ca27 binding pocket, in the LBD where ca27 and its various analogs bind in non-competition to the natural DHT ligand. These …
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B-Cell Epitope Prediction for Improved Antibody Docking
… an antibody-target complex, otherwise known as docking, is an important tool in drug design, providing valuable insights such as ways to increase antibody potency or methods to limit the likelihood of a mutational escape. State of the art models of antibody docking treat the task as a regression …
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Conceptual Framework and Methodology for Analysing Previous Molecular Docking Results
… computational simulations such as molecular docking. Molecular docking models biochemical interactions to predict where and how two molecules would bind. The results of large-scale molecular docking simulations can provide valuable insight into the relationship between two molecules. This is …
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Autodocking Studies of Oxygenated Fullerenes as Inhibitors of The HIV Protease
… at the molecular levels were studied via blind docking using AutoDock Vina software to elucidate the mechanism of these interactions. The structures of C60O, C60O2, C60O4, C60O6, C60O8 were generated using Spartan software and were docked with a crystal structure of the HIV-Protease (PR) …
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The Interaction of Cofilin with the Actin Filament
… more elusive. As of yet, there are only cryoEM models of cofilin-bound F-actin: where the binding occurs at a 1:1 ratio), which are not high enough resolution and do not show molecular interactions. The focus of this research is to build a model of how cofilin binds F-actin and understand the …