Prof Tiffany Walsh

STAFF PROFILE

Position

Professor Of Bionanotechnology

Faculty

Instit for Frontier Materials

Department

Instit for Frontier Materials

Campus

Geelong Waurn Ponds Campus

Contact

tiffany.walsh@deakin.edu.au
+61 3 522 73116

Biography

Prof. Walsh's research interests and expertise focus on molecular modelling, chiefly of interfaces, using molecular dynamics simulations and first-principles calculations.

After graduating with a B.Sci(Hons) from the University of Melbourne, Prof. Walsh earned her PhD degree in theoretical chemistry from the University of Cambridge, U.K., working in the group of Prof. David Wales (FRS) in the Dept. of Chemistry, as a Cambridge Commonwealth Trust scholar. She then joined the Dept. of Materials, University of Oxford, U.K. as a postdoctoral researcher in the Materials Modelling Laboratory (MML) with Prof. Adrian Sutton (FRS). Staying in the MML, she held a Glasstone Fellowship, in addition to a Junior Research Fellowship at Linacre College, University of Oxford. Following this, she joined the faculty of the University of Warwick, U.K., as a joint appointment in the Dept. of Chemistry and the Centre for Scientific Computing. In 2012 she returned to Australia on a veski Innovation Fellowship and joined the Institute for Frontier Materials at Deakin University in Australia, where she currently holds the position of Professor of Bio/Nanotechnology.

Prof. Walsh was appointed to join the Australian Research Council (ARC) College of Experts in 2015.

Read more on Tiffany's profile

Career highlights

2015 - current: Professor in Bio/Nanotechnology, Institute for Frontier Materials, Deakin University, Geelong, Australia

2012-2014 : Associate Professor in Bio/Nanotechnology, Institute for Frontier Materials, Deakin University, Geelong, Australia

2012-2015: veski Innovation Fellow

2002-2012: Associate Professor in Computational & Theoretical Chemistry, Dept. of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry, U.K

2000-2002: Glasstone Fellow in Dept. of Materials and Junior Research Fellow at Linacre College, Materials Modelling Laboratory, Dept. of Materials, University of Oxford, Oxford, U.K

1998-2000: Postdoctoral Research Associate, Materials Modelling Laboratory, Dept. of Materials, University of Oxford, Oxford, U.K

Research interests


  • Materials modelling of bio/nano interfaces, principally at the molecular level, to make connections between molecular scale details and macroscopic properties.

  • Development of efficient molecular simulation approaches for the meaningful study of self-assembly of large biomolecules and their structure-function relationships.

  • Application of these approaches to investigate problems ranging from the directed biomolecule-mediated assembly of inorganic nanoparticles, through to modeling the mechanical response of keratin fibres in skin in the presence of molecular additives.

Affiliations

Adjunct Associate Professor, University of Warwick, U.K.

Adjunct Associate Professor, University at Buffalo, SUNY, U.S.A

Projects

Recent Projects:

Molecular Simulations of Blood Protein Therapeutics. Consultancy, funded by CSL Ltd. (2015-2016).

Integration of Experiment and Modelling to Advance Biosensor Design based on Conformational Switching of Surface-Adsorbed Nucleic Acids. Funded by the Asian Office of Aerospace Research & Development (AFOSR Tokyo Office), (2016-2018).

Modelling the Elastic and Barrier Properties of Skin: Investigation of Keratin Self-Organization at the Molecular Level. Funded by Unilever R&D, Port Sunlight, UK. (2011-2014)

Bio-nanocombinatorics to Achieve Precisely-Assembled Multicomponent, Functional Hybrid Nanomaterials. Grant #FA9550-12-1-0226. Funded by the Air Force Office for Scientific Research (U.S.A). (2012-2017)

Aiding Developments in Advanced Materials Funded by veski.  (2012-2015)

Bioinspired Interfaces for Improved Carbon Fibre Composite Performance. Funded by the Australian Research Council.(2014-2016)

Publications

Filter by

2016

Sequence-dependent structure/function relationships of catalytic peptide-enabled gold nanoparticles generated under ambient synthetic conditions

Nicholas Bedford, Zak E. Hughes, Zhenghua Tang, Yue Li, Beverly Briggs, Yang Ren, Mark T Swihart, Valeri Petkov, Rajesh R Naik, Marc R Knecht, Prof Tiffany Walsh

(2016), Vol. 138, pp. 540-548, Journal of the American chemistry society, Washington, D.C., C1

journal

Determination of Kamlet–Taft parameters for selected solvate ionic liquids

Mr Daniel James Eyckens, Mr Baris Demir, Prof Tiffany Walsh, Prof Tom Welton, Dr Luke Henderson

(2016), Vol. 18, pp. 13153-13157, Physical chemistry chemical physics, London, 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, Zhenghua Tang, Mr Kurt Drew, Zak E. Hughes, Yue Li, Mark T Swihart, Prof Paras Prasad, Prof Marc R Knecht, Prof Tiffany Walsh

(2016), Vol. 8, pp. 1050-1060, ACS applied material interfaces, Washington, D.C., C1

journal
2015

An improved TIGER2 implementation for NAMD suitable for the Blue Gene architecture

Mr Aaron Brown, Prof Tiffany Walsh

(2015), Vol. 192, pp. 278-281, Computer Physics Communications, Amsterdam, Netherlands, C1

journal

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

Ductile thermoset polymers via controlling network flexibility

Dr Nishar Hameed, Prof Tiffany Walsh, A/Prof Jeffrey Wiggins, P Ajayan, Prof Bronwyn Fox

(2015), Vol. 51, pp. 9903-9906, Chemical communications, Cambridge, England, C1

journal

Identifying affinity classes of inorganic materials binding sequences via a graph-based model

Nan Du, Marc R Knecht, Mark T Swihart, Zhenghua Tang, Prof Tiffany Walsh, Aidong Zhang

(2015), Vol. 12, pp. 193-204, IEEE/ACM transactions on computational biology and bioinformatics, N.Y., N.Y., C1

journal

Triggering nanoparticle surface ligand rearrangement via external stimuli: light-based actuation of biointerfaces

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

(2015), Vol. 7, pp. 13638-13645, Nanoscale, Cambride, Eng., C1

journal

The Influence of water and metal salt on the transport and structural properties of 1-Octyl-3-methylimidazolium Chloride

Mr Nicolas Goujon, Dr Nolene Byrne, Prof Tiffany Walsh, Prof Maria Forsyth

(2015), Vol. 68, pp. 420-425, Australian journal of chemistry, Clayton, Vic., C1

journal

Testing the transferability of a coarse-grained model to intrinsically disordered proteins

Gil Rutter, Mr Aaron Brown, David Quigley, Prof Tiffany Walsh, Michael P Allen

(2015), Vol. 17, pp. 31741-31749, Physical chemistry chemical physics, Cambridge, Eng., C1

journal

Facet selectivity in gold binding peptides: exploiting interfacial water structure

Louis B. Wright, Dr Pablo Palafox-Hernandez, P. Mark Rodger, Stefano Corni, Prof Tiffany Walsh

(2015), Vol. 6, pp. 5204-5214, Chemical science, Cambridge, Eng., C1

journal

Complete structure of an epithelial keratin dimer: Implications for Intermediate filament assembly

David Bray, Prof Tiffany Walsh, Massimo Noro,, Rebecca Notman

(2015), Vol. 10, pp. 1-22, PLoS, San Francisco, Calif., C1

journal

Identifying inorganic material affinity classes for peptide sequences based on context learning

Guangxu Xun, Xiaoyi Li, Prof Marc R Knecht, Prof Paras Prasad, Mark T Swihart, Prof Tiffany Walsh, Aidong Zhang

(2015), pp. 549-554, BIBM 2015 : Proceedings of the Bioinformatics and Biomedicine 2015 International Conference, Piscataway, N.J., E1

conference
2014

Binding affinities of amino acid analogues at the charged aqueous titania interface : implications for titania-binding peptides

Anas M Sultan, Zak E. Hughes, Prof Tiffany Walsh

(2014), Vol. 30, pp. 13321-13329, Langmuir, Washington, United States, C1

journal

Comparative study of materials-binding peptide interactions with gold and silver surfaces and nanostructures : A thermodynamic basis for biological selectivity of inorganic materials

Dr Pablo Palafox-Hernandez, Dr Zheng Xue Tang, Zak E. Hughes, Yue Li, Mark T Swihart, Prof Paras Prasad, Prof Tiffany Walsh, Marc R Knecht

(2014), Vol. 26, pp. 4960-4969, Chemistry of Materials, Washington, United States, C1

journal

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

Zak E. Hughes, Susana M. Tomasio, Prof Tiffany Walsh

(2014), Vol. 6, pp. 5438-5448, Nanoscale, Cambridge England, C1

journal

Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions

Zak E. Hughes, Prof Tiffany Walsh

(2014), Vol. 436, pp. 99-110, Journal of colloid and interface science, Maryland Heights, MO, C1

journal

Equilibrium conformational ensemble of the intrinsically disordered peptide n16N: linking subdomain structures and function in nacre

Mr Aaron Brown, P. Mark Rodger, John Spencer Evans, Prof Tiffany Walsh

(2014), Vol. 15, pp. 4467-4479, Biomacromolecules, Washington DC, C1

journal

Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly.

Louise Wright, Nicholas Merrill, Marc R Knecht, Prof Tiffany Walsh

(2014), Vol. 6, pp. 10524-10533, ACS Applied Materials & Interfaces, United States, C1

journal

Fundamentals of peptide-materials interfaces

Prof Tiffany Walsh

(2014), pp. 17-36, Bio-inspired nanotechnology : from surface analysis to applications, Berlin, Germany, B1

chapter

Bio-inspired nanotechnology: from surface analysis to applications

Marc R Knecht, Prof Tiffany Walsh

(2014), Amsterdam, The Netherlands, A1

book

Structure and properties of citrate overlayers adsorbed at the aqueous Au(111) interface.

Louise Wright, P. Mark Rodger, Prof Tiffany Walsh

(2014), Vol. 30, pp. 15171-15180, Langmuir, United States, C1

journal
2013

Aqueous citrate: a first-principles and force-field molecular dynamics study

Louise Wright, P Mark Rodger, Prof Tiffany Walsh

(2013), Vol. 3, pp. 16399-16409, RSC advances, Cambridge, England, C1

journal

Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide

Louise Wright, Prof Tiffany Walsh

(2013), Vol. 15, pp. 4715-4726, Physical chemistry chemical physics, Cambridge, England, C1

journal

Photochemical control of molecular motion associated with pyramidal inversion

Alexander J Hough, Ivan Prokes, James H. R. Tucker, Michael Shipman, Prof Tiffany Walsh

(2013), Vol. 49, pp. 6683-6685, Chemical communications, Cambridge, England, C1

journal

Study of boron-nitrogen dative bonds using azetidine inversion dynamics

Cam Thuy Hoang, Ivan Prokes, Guy J. Clarkson, Matthew J Rowland, James H. R. Tucker, Michael Shipman, Prof Tiffany Walsh

(2013), Vol. 49, pp. 2509-2511, Chemical communications, Cambridge, England, C1

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

A framework for identifying affinity classes of inorganic materials binding peptide sequences

Nan Du, Marc R Knecht, Prof Paras Prasad, Mark T Swihart, Prof Tiffany Walsh, Aidong Zhang

(2013), pp. 545-551, ACM-BCB 2013 : 4th Conference on Bioinformatics, Computational Biology and Biomedical Informatics, New York, NY, E1

conference

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

Benzene adsorption at the aqueous (011) α-quartz interface : is surface flexibility important?

Louise Wright, Colin L. Freeman, Prof Tiffany Walsh

(2013), Vol. 39, pp. 1093-1102, Molecular simulation, London, England, C1

journal

GolP-CHARMM : First-principles based force fields for the interaction of proteins with Au(111) and Au(100)

Louise Wright, P. Mark Rodger, Stefano Corni, Prof Tiffany Walsh

(2013), Vol. 9, pp. 1616-1630, Journal of chemical theory and computation, Washington, D.C., C1

journal

First-principles based force-field for the interaction of proteins with Au(100)(5 x 1): an extension of GolP-CHARMM

Louis B. Wright, P Mark Rodger, Prof Tiffany Walsh, Stefano Corni

(2013), Vol. 117, pp. 24292-24306, Journal of physical chemistry C, Washington D. C., C1

journal

Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling

Jasmine L. Desmond, P Mark Rodger, Prof Tiffany Walsh

(2013), Vol. 40, pp. 912-921, Molecular simulation, Abingdon, England, C1

journal
2012

First-principles molecular dynamics simulations of NH 4+ and CH3COO− adsorption at the aqueous quartz interface

Louise Wright, Prof Tiffany Walsh

(2012), Vol. 137, pp. 1-8, Journal of chemical physics, College Park, Md., C1-1

journal

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

Paolo Raiteri, Raffaella Demichelis, Julian D. Gale, Matthias Kellermeier, Denis Gebauer, David Quigley, Louis B. Wright, Prof Tiffany Walsh

(2012), Vol. 159, pp. 61-85, Faraday discussions, London, England, C1

journal

Facet selectivity of binding on quartz surfaces: Free energy calculations of amino-acid analogue adsorption

Louise Wright, Prof Tiffany Walsh

(2012), Vol. 116, pp. 2933-2945, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces

Anke Butenuth, Gianpetro Moras, Julian Schneider, Mohammad Koleini, Susan Koppen, Robert Meibner, Louise Wright, Prof Tiffany Walsh, Lucio Colombi Ciacchi

(2012), Vol. 249, pp. 292-305, Physica status solidi B, Weinheim, Germany, C1-1

journal
2011

Molecular dynamics simulations of the adsorption and dynamical behavior of single DNA components on TiO 2

Susanna Monti, Prof Tiffany Walsh

(2011), Vol. 115, pp. 24239-24246, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Infrared-induced reactivity of N2O on small gas-phase rhodium clusters

Suzanne M. Hamilton, W. Scott Hopkins, Dan J. Harding, Prof Tiffany Walsh, Marko Haertelt, Christian Kerpal, Philipp Gruene, Gerard Meijer, Andre Fielicke, Stuart R. Mackenzie

(2011), Vol. 115, pp. 2489-2497, Journal of physical chemistry A, Washington, D.C., C1-1

journal

Aziridine scaffolds for the detection and quantification of hydrogen-bonding interactions through transition-state stabilization

Luciana Giordano, Cam Thuy Hoang, Michael Shipman, James H. R. Tucker, Prof Tiffany Walsh

(2011), Vol. 50, pp. 741-744, Angewandte chemie, Weinheim, Germany, C1-1

journal
2010

Free energy calculations of the adsorption of amino acid analogues at the aqueous titania interface

Susanna Monti, Prof Tiffany Walsh

(2010), Vol. 114, pp. 22197-22206, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Communications: the structure of Rh8 + in the gas phase

Dan J. Harding, Prof Tiffany Walsh, Suzanne M. Hamilton, W. Scott Hopkins, Stuart R. Mackenzie, Philipp Gruene, Marko Haertelt, Gerard Meijer, Andre Fielicke

(2010), Vol. 132, pp. 1-5, Journal of chemical physics, College Park, Md., C1-1

journal

Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations

S R Friling, Rebecca Notman, Prof Tiffany Walsh

(2010), Vol. 2, pp. 98-106, Nanoscale, Cambridge, England, C1-1

journal

Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy

Dan J. Harding, Philipp Gruene, Marko Haertelt, Gerard Meijer, Andre Fielicke, Suzanne M. Hamilton, W. Scott Hopkins, Stuart R. Mackenzie, S P Neville, Prof Tiffany Walsh

(2010), Vol. 133, pp. 1-9, Journal of chemical physics, College Park, Md., C1-1

journal

Investigation of the influence of surface defects on peptide adsorption onto carbon nanotubes

Prof Tiffany Walsh, Susana M. Tomasio

(2010), Vol. 6, pp. 1707-1718, Molecular biosystems, Cambridge, England, C1-1

journal

Probing the molecular mechanisms of quartz-binding peptides

E Emre Oren, Rebecca Notman, Il Won Kim, John Spencer Evans, Prof Tiffany Walsh, Ram Samudrala, Candan Tamerler, Mehmet Sarikaya

(2010), Vol. 26, pp. 11003-11009, Langmuir, Washington, D.C., C1-1

journal

Infrared induced reactivity on the surface of isolated size-selected clusters: dissociation of N2O on rhodium clusters

Suzanne M. Hamilton, W. Scott Hopkins, Dan J. Harding, Prof Tiffany Walsh, Philipp Gruene, Marko Haertelt, Andre Fielicke, Gerard Meijer, Stuart R. Mackenzie

(2010), Vol. 132, pp. 1448-1449, Journal of the American chemical society, Washington, D.C., C1-1

journal

Solution study of engineered quartz binding peptides using replica exchange molecular dynamics

Rebecca Notman, E Emre Oren, Candan Tamerler, Mehmet Sarikaya, Ram Samudrala, Prof Tiffany Walsh

(2010), Vol. 11, pp. 3266-3274, Biomacromolecules, Washington, D.C., C1-1

journal
2009

Density functional theory calculations of vibrational spectra of rhodium oxide clusters

Dan J. Harding, Stuart R. Mackenzie, Prof Tiffany Walsh

(2009), Vol. 469, pp. 31-34, Chemical physics letters, Amsterdam, The Netherlands, C1-1

journal

A multipole-based water potential with implicit polarization for biomolecular simulations

Prof Tiffany Walsh, Taining Liang

(2009), Vol. 30, pp. 893-899, Journal of computational chemistry, Hoboken, N. J., C1-1

journal

Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces

Rebecca Notman, Prof Tiffany Walsh

(2009), Vol. 25, pp. 1638-1644, Langmuir, Washington, D.C., C1-1

journal

Modeling the binding affinity of peptides for graphitic surfaces. influences of aromatic content and interfacial shape

Susana M. Tomasio, Prof Tiffany Walsh

(2009), Vol. 113, pp. 8778-8785, Journal of physical chemistry C, Washington, D.C., C1-1

journal

Interplay of sequence, conformation, and binding at the peptide-titania interface as mediated by water

Adam A Skelton, Taining Liang, Prof Tiffany Walsh

(2009), Vol. 1, pp. 1482-1491, ACS applied materials and interfaces, Washington, D.C., C1-1

journal

Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide

Dan J. Harding, Thomas A. A. Oliver, Prof Tiffany Walsh, Thomas Drewello, D Phil Woodruff, Peter J Derrick, Stuart R. Mackenzie

(2009), Vol. 15, pp. 83-90, European journal of mass spectrometry, Chichester, England, C1-1

journal