An integrated study combining network toxicology machine learning and molecular simulation reveals the molecular mechanisms of permanent hair dyes in breast cancer. [PDF]
Yang X +6 more
europepmc +1 more source
Electrostatic Superlattices Beyond 1:1 Stoichiometry
Polymer‐mediated charge regulation drives two hierarchical routes to higher‐stoichiometry nanoparticle superlattices. Tuning the polymer's molecular weight promotes progressive interstitial filling, transforming ZnS into the fully occupied CaF2${\rm CaF}_2$ lattice. Exchanging polymer assignment between large and small nanoparticles instead breaks CsCl
Binay P. Nayak +7 more
wiley +1 more source
Green synthesis, characterization, molecular simulation, and in vitro biomedical application of magnesium oxide nanoparticles. [PDF]
Selim S +9 more
europepmc +1 more source
Mineral Deposition From Liquid Precursors Triggered by Complementary Polyelectrolytes
Polyelectrolyte additives can delay or prevent crystal nucleation in supersaturated solutions of insoluble mineral salts such as calcium carbonate. This work reports that adding a second, oppositely‐charged polyelectrolyte leads to immediate mineral crystallization from such metastable solutions.
Mohammed Kayes Patoary +6 more
wiley +1 more source
Adaptation of DNA to Protein Binding Revealed by Spectroscopy and Molecular Simulation. [PDF]
van Heesch T +6 more
europepmc +1 more source
Exploring the toxicological effects of Di-O-benzoyldiethylene glycol plasticizer on allergic rhinitis through network toxicology combined with molecular docking and molecular simulation. [PDF]
Liu P, Zhang Y, Niu X, Zhang Z, Ma R.
europepmc +1 more source
Self-Guided Molecular Simulation to Enhance Concerted Motion. [PDF]
Wu X, Brooks BR.
europepmc +1 more source
Microscopic Characterization of Radiation Resistance of Epoxy Resin Enhanced with Graphene Quantum Dots and Molecular Simulation. [PDF]
Zou L +6 more
europepmc +1 more source

