QM/MM Study of Partial Dissociation of S2B for the E2 Intermediate of Nitrogenase
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic Chemistry"
DOI: 10.1021/acs.inorgchem.2c02488
Abstract: Nitrogenase is the only enzyme that can cleave the triple bond in N2, making nitrogen available for all lifeforms. Previous computational studies have given widely diverging results regarding the reaction mechanism of the enzyme. For… read more here.
Keywords: s2b; study partial; nitrogenase; s2b intermediate ... See more keywords
Interactions between Curcumin Derivatives and Amyloid-β Fibrils: Insights from Molecular Dynamics Simulations
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Chemical Information and Modeling"
DOI: 10.1021/acs.jcim.9b00561
Abstract: The aggregation of amyloid-β (Aβ) peptides into senile plaques is a hallmark of Alzheimer’s disease (AD) and is hypothesized to be the primary cause of AD related neurodegeneration. Previous studies have shown the ability of… read more here.
Keywords: outermost peptide; molecular dynamics; curcumin derivatives; partial dissociation ... See more keywords