Numerical Analysis and Computation Commons^™

Fast Protein Structure Alignment, Yosi Shibberu, Allen Holder, Kyla Lutz

Mathematical Sciences Technical Reports (MSTR)

We address the problem of aligning the 3D structures of two proteins. Our pairwise comparisons are based on a new optimization model that is succinctly expressed in terms of linear transformations and highlights the problem’s intrinsic geometry. The optimization problem is approximately solved with a new polynomial time algorithm. The worst case analysis of the algorithm shows that the solution is bounded by a constant depending only on the data of the problem.