We apply techniques from computer science -- Data structures and Algorithms,
Information theory, Graph theory, Stringology, Combinatorial Optimisation,
Mathematics/Statistics -- to address computational problems that arise in biological data, predominantly protein structural data.
Some programs and web applications we developed
A command line program to align and superpose multiple three-dimensional structures of proteins.
A web server to generate phase-search probes to support experimental solutions to protein crystal structures using crystallographic Molecular Replacement (MR).
A web server and a program to rapidly screen the entire (up-to-date) PDB and identify similar oligopeptide fragments. The method mathematically guarantees to find all superposable fragments for a given query that fits within a user-prescribed threshold of root-mean-squared deviation (RMSD).
A web server to assign secondary structure to protein coordinate data using the Bayesian method of Minimum Message Length inference.
A web server to assess the quality of any given protein structural alignment, or compare between competing alignments, using I-value (Information Content).
A program to infer structural alignments between pairs of proteins and generate alternative alignments (when they exist). Uses statistical inductive inference as the underlying framework to identify these alignments.