Home > Research > Browse

Results for MOLECULAR-DYNAMICS SIMULATIONS

Publications & Outputs

  1. Structure and Properties of a Nanoporous Supercapacitor

    Fayon, P., Thomas, J. M. H. & Trewin, A., 17/11/2016, In : The Journal of Physical Chemistry C. 120, 45, p. 25880-25891 12 p.

    Research output: Contribution to journalJournal article

  2. First-principles calculation of NMR parameters using the gauge including projector augmented wave method: a chemist's point of view

    Bonhomme, C., Gervais, C., Babonneau, F., Coelho, C., Pourpoint, F., Azais, T., Ashbrook, S. E., Griffin, J. M., Yates, J. R., Mauri, F. & Pickard, C. J., 11/2012, In : Chemical Society Reviews. 112, 11, p. 5733-5779 47 p.

    Research output: Contribution to journalLiterature review

  3. Defect-mediated trafficking across cell membranes: insights from in silico modeling

    Gurtovenko, A. A., Anwar, J. & Vattulainen, I., 10/2010, In : Chemical Society Reviews. 110, 10, p. 6077-6103 27 p.

    Research output: Contribution to journalLiterature review

  4. Interaction of ethanol with biological membranes: the formation of non-bilayer structures within the membrane interior and their significance

    Gurtovenko, A. A. & Anwar, J., 19/02/2009, In : Journal of Physical Chemistry B. 113, 7, p. 1983-1992 10 p.

    Research output: Contribution to journalJournal article

  5. Mode of action and design rules for additives that modulate crystal nucleation

    Anwar, J., Boateng, P. K., Tamaki, R. & Odedra, S., 2009, In : Angewandte Chemie International Edition. 48, 9, p. 1596-1600 5 p.

    Research output: Contribution to journalJournal article

  6. Simulations of skin barrier function: free energies of hydrophobic and hydrophilic transmembrane pores in ceramide bilayers

    Notman, R., Anwar, J., Briels, W. J., Noro, M. G. & den Otter, W. K., 15/11/2008, In : Biophysical Journal. 95, 10, p. 4763-4771 9 p.

    Research output: Contribution to journalJournal article

  7. Chemically induced phospholipid translocation across biological membranes

    Gurtovenko, A. A., Onike, O. I. & Anwar, J., 2/09/2008, In : Langmuir. 24, 17, p. 9656-9660 5 p.

    Research output: Contribution to journalJournal article

  8. Ion transport through chemically induced pores in protein-free phospholipid membranes

    Gurtovenko, A. A. & Anwar, J., 29/11/2007, In : Journal of Physical Chemistry B. 111, 47, p. 13379-13382 4 p.

    Research output: Contribution to journalJournal article