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 8 of 8 for “"free energy of binding"”.
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Investigating the mechanotransduction by two-photon fluorescence microscopy measurement of intracellular free energy of binding
… mechanotransduction. However, the mechanism(s) of mechanotransduction has yet to be fully understood. This thesis focuses on the measurement of the intracellular binding constant between focal adhesion proteins of interest, GFP-Paxillin and FAT-mCherry, using two-photon excitation fluorescence …
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Discovering Dengue Drugs-Together: Grid Scale Virtual Screening with Mean Field Free Energy of Binding Rescoring
The virtual screening of chemical databases against drug discovery targets with docking programs can enrich a database for bioactive compounds. However, current virtual screening methods generate many false positives leading to extensive and expensive testing of ultimately inactive compounds. In …
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Binding affinity of a small molecule to an amorphous polymer in a solvent
… on a foreign surface. The complicated mechanism of heterogeneous nucleation is not well understood, but we hypothesize a possible correlation between binding affinity to a surface and nucleation enhancement. Amorphous polymers have been used in controlling crystallization. However, to our …
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Optimization of Quinone-Based, Extracellular Electron Transfer Mediators for Bioelectronic Applications
… terminal electron acceptors (TEAs). A subset of these organisms, also known as metal reducing (MR) bacteria, can produce a usable electric current. Production of electric current makes MR bacteria of interest for the development of bioelectronic devices like biosensors and microbial fuel …
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The Atom Surface Site Interaction Point Approach to Non-Covalent Interactions
… equations that describe the electronic structure of the atoms but also informed us that such accurate calculations are very expensive indeed. To look at larger supramolecular or biomolecular systems, or to investigate the effects of solvent, simplifications needed to be introduced that compromise …
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Multiscale Modelling of Biomolecular Phase Behaviour
… laws that govern the phase behaviour of biomolecules is a cardinal milestone to understand crucial open questions in biology ranging from the spatiotemporal organisation of the cytoplasm in the eukaryotic cell to the emergence of pathological cellular states. Understanding the …
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A computational approach for identification and development of novel inhibitors targeting viral polymerases
… Although vaccines have helped to control several of the most important viral pathogens, there is currently little prospect of an effective vaccine for either HCV or HIV. These pathogens infect ~170 million and ~40 million people worldwide, respectively, hastening the need for effective antiviral …
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Modelo de redes complejas mediante enlace compatible : aplicación a sistemas reales
… se enmarca dentro del ámbito de la Complejidad profundizando en los mecanismos que la caracterizan y subyacen. En particular la tesis se enfoca en el estudio de redes como una abstracción puramente topológica de los sistemas. Desde esta perspectiva, un sistema complejo puede ser “fotografiado” …