Allows protein structure comparison. TOPS+ is a comparison method for novel topological models that uses parameter optimization both for the computation of the dynamic programming table and the computation of the comparison score using a compression metric. It can be applied as an initial step to prune the search space and filter the proteins into same folds interacting with similar or different ligands and different folds interacting with similar or different ligands.
Joint Center for Molecular Modeling, Sanford-Burnham Medical Research Institute, La Jolla, CA, USA; School of Information Systems, Computing and Mathematics, Brunel University, Uxbridge, Middlesex, UK; Algorithms, Bioinformatics, Complexity and Formal Methods Research Group, Technical University of Catalonia, Barcelona, Spain
TOPS+ funding source(s)
Supported by a PhD studentship from the University of Glasgow.