Publications [#336328] of Bruce R. Donald

Papers Published

  1. Lavor, C; Liberti, L; Donald, B; Worley, B; Bardiaux, B; Malliavin, TE; Nilges, M, Minimal NMR distance information for rigidity of protein graphs, Discrete Applied Mathematics (April, 2018)
    (last updated on 2018/09/27)

    © 2018 Elsevier B.V. Nuclear Magnetic Resonance (NMR) experiments provide distances between nearby atoms of a protein molecule. The corresponding structure determination problem is to determine the 3D protein structure by exploiting such distances. We present a new order on the atoms of the protein, based on information from the chemistry of proteins and NMR experiments, which allows us to formulate the problem as a combinatorial search. Additionally, this order tells us what kind of NMR distance information is crucial to understand the cardinality of the solution set of the problem and its computational complexity.