Dr Zak Hughes

STAFF PROFILE

Position

Post Doctoral Fellow in Bio Nano Materials Modelling

Faculty

Instit for Frontier Materials

Department

Instit for Frontier Materials

Campus

Geelong Waurn Ponds Campus

Contact

z.hughes@deakin.edu.au
+61 3 524 79160

Publications

Filter by

2016

Peptide sequence effects control the single pot reduction, nucleation, and growth of Au nanoparticles

Catherine J. Munro, Dr Zak Hughes, Prof Tiffany Walsh, Prof Marc R Knecht

(2016), Vol. 120, pp. 18917-18924, Journal of physical chemistry c, Washington, D.C., C1

journal

Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices

Dr Zak Hughes, Prof Tiffany Walsh

(2016), Vol. 18, pp. 17525-17533, Physical chemistry chemical physics, Chambridge, Eng., C1

journal

Aqueous peptide-TiO2 interfaces: isoenergetic binding via either entropically or enthalpically driven mechanisms

Mr Anas Mufid Nasri Sultan, Zayd C. Westcott, Dr Zak Hughes, Dr Pablo Palafox-Hernandez, Tristan Giesa, Valeria Puddu, Markus J. Buehler, Carole C. Perry, Prof Tiffany Walsh

(2016), Vol. 8, pp. 18620-18630, ACS applied materials & interfaces, Washington, D.C., C1

journal
2015

Computational chemistry for graphene-based energy applications: progress and challenges.

Dr Zak Hughes, Prof Tiffany Walsh

(2015), Vol. 7, pp. 6883-6908, Nanoscale, England, C1

journal

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

Dr Zak Hughes, Prof Tiffany Walsh

(2015), Vol. 3, pp. 3211-3221, Journal of Materials Chemistry B, , C1

journal

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

Dr Zak Hughes, Prof Tiffany Walsh

(2015), Vol. 5, pp. 49933-49943, RSC Advances, Cambridge, Eng., C1

journal

Improving the description of interactions between Ca2+ and protein carboxylate groups, including γ-carboxyglutamic acid: revised CHARMM22∗ parameters

Mr Andrew Church, Dr Zak Hughes, Prof Tiffany Walsh

(2015), Vol. 5, pp. 67820-67828, RSC Advances, Cambridge, Eng., C1

journal

Optical actuation of inorganic/organic interfaces: comparing peptide-azobenzene ligand reconfiguration on gold and silver nanoparticles

Dr Pablo Palafox-Hernandez, Chang-Keun Lim, Zhengua Tang, Mr Kurt Drew, Dr Zak Hughes, Yue Li, Mark T Swihart, Prof Paras Prasad, Prof Marc R Knecht, Prof Tiffany Walsh

(2015), Vol. 8, pp. 1050-1060, ACS Applied materials and interfaces, Washington D.C., Wash., C1

journal
2014

Molecular mechanism of the synergistic effects of vitrification solutions on the stability of phospholipid bilayers

Dr Zak Hughes, Ricardo L. Mancera

(2014), Vol. 106, pp. 2617-2624, Biophysical Journal, St Louis, MO., C1

journal
2013

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

Dr Zak Hughes, Ricardo L. Mancera

(2013), Vol. 9, pp. 2920-2935, Soft matter, Cambridge, England, C1-1

journal

The effects of cryosolvents on DOPC−β-sitosterol bilayers determined from molecular dynamics simulations

Dr Zak Hughes, Chris J. Malajczuk, Ricardo L. Mancera

(2013), Vol. 117, pp. 3362-3375, Journal of physical chemistry : part B, Washington, D.C., C1-1

journal

Molecular scale modeling of membrane water treatment processes

Harry F. Ridgeway, Julian D. Gale, Dr Zak Hughes, Matthew B. Stewart, John Orbell, Prof Stephen R Gray

(2013), pp. 249-299, Functional nanostructured materials and membranes for water treatment, Weinheim, Germany, B1-1

chapter

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

Chris J. Malajczuk, Dr Zak Hughes, Ricardo L. Mancera

(2013), Vol. 1828, pp. 2041-2055, Biochimica et biophysica acta - biomembranes, Amsterdam, The Netherlands, C1-1

journal

Biomolecular recognition principles for bionanocombinatorics : an integrated approach to elucidate enthalpic and entropic factors

Zhenghua Tang, Dr Pablo Palafox-Hernandez, Wing Cheung Law, Dr Zak Hughes, Mark T Swihart, Prof Paras Prasad, Marc R Knecht, Prof Tiffany Walsh

(2013), Vol. 7, pp. 9632-9646, ACS nano, Washington, D.C., C1

journal

Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations and comparisons with gold

Dr Zak Hughes, Louise Wright, Prof Tiffany Walsh

(2013), Vol. 29, pp. 13217-13329, Langmuir, Washington, D.C., C1

journal
2012

Molecular dynamics simulations of the interactions of DMSO with DPPC and DOPC phospholipid membranes

Dr Zak Hughes, Alan E. Mark, Ricardo L. Mancera

(2012), Vol. 116, pp. 11911-11923, Journal of physical chemistry part b, Washington D.C., C1-1

journal

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

Dr Zak Hughes, Julian D. Gale

(2012), Vol. 22, pp. 175-184, Journal of materials chemistry, Cambridge, England, C1-1

journal

Simulation of water transport through functionalized single-walled carbon nanotubes (SWCNTs)

Dr Zak Hughes, Cameron J. Shearer, Joe Shapter, Julian D. Gale

(2012), Vol. 116, pp. 24943-24953, Journal of physical chemistry part c, Washington D.C., C1-1

journal
2011

A computational investigation into the suitability of purely siliceous zeolites as reverse osmosis membranes

Dr Zak Hughes, Louise Carrington, Paolo Raiteri, Julian D. Gale

(2011), Vol. 115, pp. 4063-4075, Journal of physical chemistry part c, Washington D.C., C1-1

journal
2010

A computational investigation of the properties of a reverse osmosis membrane

Dr Zak Hughes, Julian D. Gale

(2010), Vol. 20, pp. 7788-7799, Journal of materials chemistry, Cambridge, England, C1-1

journal
2009

Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials

Razan A Nistor, Lia Krusin-Elbaum, Glenn J Martyna, Dennis M Newns, Bruce G Elmegreen, Xiao-hu Liu, Dr Zak Hughes, Sujata Paul, Cyril Cabral, Simone Raoux, David B Shrekenhamer, Dimitri N Basov, Young Song, Martin H Muser

(2009), Vol. 106, pp. 10907-10911, National academy of sciences.Proceedings, Washington, D. C., C1-1

journal
2008

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

Dr Zak Hughes, Lorna M Stimson, Henk Slim, Juho S Lintuvuori, Jaroslav M Ilnytskyi, Mark R Wilson

(2008), Vol. 178, pp. 724-731, Computer physics communications, Amsterdam, The Netherlands, C1-1

journal
2005

Computer simulations of liquid crystal polymers and dendrimers

Mark R Wilson, Lorna M Stimson, Jaroslav M Ilnytskyi, Dr Zak Hughes

(2005), pp. 57-81, Computer Simulations of Liquid Crystals and Polymers, Amsterdam, Netherlands, E1-1

conference

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

Dr Zak Hughes, Mark R Wilson, Lorna M Stimson

(2005), Vol. 1, pp. 436-443, Soft Matter, Cambridge, England, C1-1

journal