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Showing 1–3 of 3 results
Advanced filters: Author: Bernd Ensing Clear advanced filters
  • Polyethers are ubiquitous in our daily lives, and display counterintuitive solubilities in water. Here the authors show, by ultrafast spectroscopies and computations, that solubility does not depend on steric factors but on the interaction of water molecules with the polymer’s charge distribution

    • Bernd Ensing
    • Ambuj Tiwari
    • Sander Woutersen
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-8
  • Double helix structures appear widely in nature, but only rarely in synthetic non-chiral macromolecules. Here the authors describe a double helix in a densely charged aromatic polyamide, which exhibits an axial rigidity persistence length of ~ 1 μm, much higher than that of DNA (~ 50 nm).

    • Ying Wang
    • Yadong He
    • Louis A. Madsen
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-8
  • The PLUMED consortium unifies developers and contributors to PLUMED, an open-source library for enhanced-sampling, free-energy calculations and the analysis of molecular dynamics simulations. Here, we outline our efforts to promote transparency and reproducibility by disseminating protocols for enhanced-sampling molecular simulations.

    • Massimiliano Bonomi
    • Giovanni Bussi
    • Andrew White
    Comments & Opinion
    Nature Methods
    Volume: 16, P: 670-673