Browsing Department of Informatics by Author "Mitternacht, Simon"
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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 ...