All Stories

  1. Molecular simulation of hydrogen storage and transport in cellulose
  2. The integrated DL_POLY/DL_FIELD/DL_ANALYSER software platform for molecular dynamics simulations for exploration of the synthonic interactions in saturated benzoic acid/hexane solutions
  3. Study of interactions between polymer nanoparticles and cell membranes at atomistic levels
  4. Structural Behaviour of 2-Hydroxypropyl-β-Cyclodextrin in Water: Molecular Dynamics Simulation Studies
  5. Molecular dynamics using atomic-resolution structure reveal structural fluctuations that may lead to polymerization of human Cu–Zn superoxide dismutase
  6. Structural investigation of human wild-type Cu, Zn superoxide dismutase – a biomolecular case study using DL_POLY_3
  7. Atomistic studies of surface adhesions using molecular-dynamics simulations
  8. PARTICLE ADHESION AT THE NANOSCALE
  9. Surface contact studies of NaCl and TiO2: molecular dynamics simulation studies
  10. DL_POLY: Application to molecular simulation