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A Constraint Programming Approach for the Analysis of Proteins Conformations via Fragment Assembly
by Ferdinando Fioretto
Understanding the tridimensional structure of proteins is essential to biomedical investigation, including drug design and the study of diseases such as Parkinson and Alzheimer.
This Thesis presents a novel approach to the protein structure analysis based on Constraint Programming methodologies. We employ fragment assembly techniques to derive the final protein conformation, using information derived from homology, prediction and/or experimental data. We show that information collected from various sources can be included as constraints describing the molecule's properties, guiding the prediction to achieve enhancement in performances and quality of the results.Full Thesis