Filter By:

Journal Check one or more journals to show results from those journals only.

Choose more journals

Article type Check one or more article types to show results from those article types only.
Subject Check one or more subjects to show results from those subjects only.
Date Choose a date option to show results from those dates only.

Custom date range

Clear all filters
Sort by:
Showing 1–3 of 3 results
Advanced filters: Author: Matteo Salvalaglio Clear advanced filters
  • Accessing the dynamics of soft self-assembled materials at high resolution is very difficult. Here the authors show atomistic and coarse-grained modelling combined with enhanced sampling to characterize the molecular mechanisms and kinetics of monomer exchange in synthetic supramolecular polymers.

    • Davide Bochicchio
    • Matteo Salvalaglio
    • Giovanni M. Pavan
    ResearchOpen Access
    Nature Communications
    Volume: 8, P: 1-11
  • 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