• Binding Leverage as a Molecular Basis for Allosteric Regulation 

      Mitternacht, Simon; Berezovsky, Igor N. (Peer reviewed; Journal article, 2011-09-15)
      Allosteric regulation involves conformational transitions or fluctuations between a few closely related states, caused by the binding of effector molecules. We introduce a quantity called binding leverage that measures the ...
    • Coherent Conformational Degrees of Freedom as a Structural Basis for Allosteric Communication 

      Mitternacht, Simon; Berezovsky, Igor N. (Peer reviewed; Journal article, 2011-12-08)
      Conformational changes in allosteric regulation can to a large extent be described as motion along one or a few coherent degrees of freedom. The states involved are inherent to the protein, in the sense that they are visited ...
    • A geometry-based generic predictor for catalytic and allosteric sites 

      Mitternacht, Simon; Berezovsky, Igor N. (Peer reviewed; Journal article, 2011)
      An important aspect of understanding protein allostery, and of artificial effector design, is the characterization and prediction of substrate- and effector-binding sites. To find binding sites in allosteric enzymes, many ...
    • Monte Carlo Study of the Formation and Conformational Properties of Dimers of Aβ42 Variants 

      Mitternacht, Simon; Staneva, Iskra; Härd, Torleif; Irbäck, Anders (Peer reviewed; Journal article, 2011)
      Small soluble oligomers, and dimers in particular, of the amyloid β-peptide (Aβ) are believed to play an important pathological role in Alzheimer's disease. Here, we investigate the spontaneous dimerization of Aβ42, with ...