Theoretical-experimental study on protein-ligand interactions based on thermodynamics methods, molecular docking and perturbation models
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http://hdl.handle.net/10347/27236
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Título: | Theoretical-experimental study on protein-ligand interactions based on thermodynamics methods, molecular docking and perturbation models |
Autor/a: | González Durruthy, Michael |
Dirección/Titoría: | Ruso Beiras, Juan Manuel |
Centro/Departamento: | Universidade de Santiago de Compostela. Escola de Doutoramento Internacional (EDIUS) Universidade de Santiago de Compostela. Programa de Doutoramento en Ciencia de Materiais |
Palabras chave: | Thermodynamics Methods | Molecular Docking | Perturbation Models | |
Data: | 2017 |
Resumo: | The current doctoral thesis focuses on understanding the thermodynamic events of protein-ligand interactions which have been of paramount importance from traditional Medicinal Chemistry to Nanobiotechnology. Particular attention has been made on the application of state-of-the-art methodologies to address thermodynamic studies of the protein-ligand interactions by integrating structure-based molecular docking techniques, classical fractal approaches to solve protein-ligand complementarity problems, perturbation models to study allosteric signal propagation, predictive nano-quantitative structure-toxicity relationship models coupled with powerful experimental validation techniques. The contributions provided by this work could open an unlimited horizon to the fields of Drug-Discovery, Materials Sciences, Molecular Diagnosis, and Environmental Health Sciences. |
URI: | http://hdl.handle.net/10347/27236 |
Dereitos: | Attribution-NonCommercial-NoDerivatives 4.0 Internacional |
Coleccións
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- Área de Ciencias [947]
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