Next-generation Protein Structural comparison using Information Theory

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Progress in protein structural biology relies heavily on key computational technologies, structural alignment being an indispensable one. Despite its importance the structural alignment problem has not been formulated, much less solved, in a consistent and reliable way. This project aims to rectify this by combining novel information-theoretic inference with advances in constraint optimisation and visualisation. State-of-the-art alignment methods aim to be produced for biologists to generate statistically-rigorous and biologically-trustworthy alignments, and allow them to visualise structural relationships in unprecedented ways. This project is expected to provide direct payoffs to the fields of protein science, crystallography and bioinformatics.