An exact mathematical programming approach to multiple RNA sequence-structure alignment Bauer, Markus Klau, Gunnar W. Reinert, Knut Universität <Berlin, Freie Universität> / Fachbereich Mathematik und Informatik
An exact mathematical programming approach to multiple RNA sequence-structure alignment
Klau, Gunnar W.
Universität <Berlin, Freie Universität> / Fachbereich Mathematik und Informatik
Freie Universität Berlin, Fachbereich Mathematik und Informatik : Ser. B, Informatik ; 07,07
005 Computer programming, programs, data 510 Mathematics
One of the main tasks in computational biology is the computation of alignments of genomic sequences to reveal their commonalities. In case of DNA or protein sequences, sequence information alone is usually sufficient to compute reliable alignments. RNA molecules, however, build spatial conformations—the secondary structure—that are
more conserved than the actual sequence. Hence, computing reliable alignments of RNA molecules has to take into account the secondary structure. We present a novel framework for the computation of exact multiple sequence-structure alignments: We give a graph-theoretic representation of the sequence-structure alignment problem and phrase it as an integer linear program. We identify a class of constraints that make the problem easier to solve and relax the original integer linear program in a Lagrangian manner. Experiments on a recently published benchmark show that our algorithms has a comparable performance than more costly dynamic programming algorithms, and outperforms all other approaches in terms of solution quality with an increasing number of input sequences.
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