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Molecular simulations of IDPs: From ensemble generation to IDP interactions leading to disorder-to-order transitions
Fatafta, Hebah; Samantray, Suman; Sayyed-Ahmad, Abdallah; Weber, Orkide Coşkuner; Strodel, Birgit (Academic Press Inc Elsevier Science, 2021)Intrinsically disordered proteins (IDPs) lack a well-defined three-dimensional structure but do exhibit some dynamical and structural ordering. The structural plasticity of IDPs indicates that entropy-driven motions are ... -
Transition metal Ion interactions with disordered Amyloid-beta Peptides in the pathogenesis of Alzheimer's disease: insights from computational chemistry studies
Strodel, Birgit; Weber, Orkide Coşkuner (Amer Chemical Soc, 2019)Monomers and oligomers of the amyloid-beta peptide aggregate to form the fibrils found in the brains of Alzheimer's disease patients. These monomers and oligomers are largely disordered and can interact with transition ...