RT Dissertation/Thesis
T1 Theoretical-experimental study on protein-ligand interactions based on thermodynamics methods, molecular docking and perturbation models
A1 González Durruthy, Michael
K1 Thermodynamics Methods
K1 Molecular Docking
K1 Perturbation Models
AB 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.
YR 2017
FD 2017
LK http://hdl.handle.net/10347/27236
UL http://hdl.handle.net/10347/27236
LA eng
DS Minerva
RD 27 abr 2026