All Stories

  1. What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces

    Article • Journal of Materials Chemistry B, January 2015, Royal Society of Chemistry

    Zak Hughes

  2. Tristearin bilayers: structure of the aqueous interface and stability in the presence of surfactants

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Zak Hughes

  3. Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Zak Hughes

  4. Biomolecular Adsorption at Aqueous Silver Interfaces: First-Principles Calculations, Polarizable Force-Field Simulations, and Comparisons with Gold

    Article • Langmuir, October 2013, American Chemical Society (ACS)

    Zak Hughes

  5. Biomolecular Recognition Principles for Bionanocombinatorics: An Integrated Approach To Elucidate Enthalpic and Entropic Factors

    Article • ACS Nano, October 2013, American Chemical Society (ACS)

    Zak Hughes, Professor Mark T. Swihart

  6. Molecular dynamics simulations of the interactions of DMSO, mono- and polyhydroxylated cryosolvents with a hydrated phospholipid bilayer

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, September 2013, Elsevier

    Zak Hughes

  7. The Effects of Cryosolvents on DOPC−β-Sitosterol Bilayers Determined from Molecular Dynamics Simulations

    Article • The Journal of Physical Chemistry B, March 2013, American Chemical Society (ACS)

    Zak Hughes

  8. Molecular Scale Modeling of Membrane Water Treatment Processes

    Article • February 2013, Wiley

    Zak Hughes

  9. Molecular dynamics simulations of mixed DOPC–β-sitosterol bilayers and their interactions with DMSO

    Article • Soft Matter, January 2013, Royal Society of Chemistry

    Zak Hughes

  10. Simulation of Water Transport Through Functionalized Single-Walled Carbon Nanotubes (SWCNTs)

    Article • The Journal of Physical Chemistry C, November 2012, American Chemical Society (ACS)

    Zak Hughes

  11. Molecular Dynamics Simulations of the Interactions of DMSO with DPPC and DOPC Phospholipid Membranes

    Article • The Journal of Physical Chemistry B, September 2012, American Chemical Society (ACS)

    Zak Hughes

  12. Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane

    Article • Journal of Materials Chemistry, January 2012, Royal Society of Chemistry

    Zak Hughes

  13. A Computational Investigation into the Suitability of Purely Siliceous Zeolites as Reverse Osmosis Membranes

    Article • The Journal of Physical Chemistry C, February 2011, American Chemical Society (ACS)

    Zak Hughes

  14. A computational investigation of the properties of a reverse osmosis membrane

    Article • Journal of Materials Chemistry, January 2010, Royal Society of Chemistry

    Zak Hughes

  15. An investigation of soft-core potentials for the simulation of mesogenic molecules and molecules composed of rigid and flexible segments

    Article • Computer Physics Communications, May 2008, Elsevier

    Zak Hughes, Mark Wilson

  16. Coarse-grained simulation studies of a liquid crystal dendrimer: towards computational predictions of nanoscale structure through microphase separation

    Article • Soft Matter, January 2005, Royal Society of Chemistry

    Zak Hughes, Mark Wilson

  17. Computer Simulations of Liquid Crystal Polymers and Dendrimers

    Article • Springer Science + Business Media

    Zak Hughes