Browsing by Subject "Mutagenesis"
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Article
Assessing the potential of pharmaceuticals and their transformation products to cause mutagenic effects: Implications for gene expression profiling
(2016)The selection and prioritization of pharmaceuticals and their transformation products for evaluating effects on the environment and human health is a challenging task. One common approach is based on compounds (e.g., mixture ...
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Article
Conformational analysis of compstatin analogues with molecular dynamics simulations in explicit water
(2007)The cyclic 13-residue peptide compstatin is a potential therapeutic agent against the unregulated activation of the complement system. A thorough knowledge of its structural and dynamical properties in solution may assist ...
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Article
Dielectric relaxation in an enzyme active site: Molecular dynamics simulations interpreted with a macroscopic continuum model
(2001)Dielectric relaxation plays an important role in many chemical processes in proteins, including acid-base titration, ligand binding, and charge transfer reactions. Its complexity makes experimental characterization difficult, ...