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Deakin Research

Research Output for Prof Tiffany R Walsh

Note: The 2012, 2013, 2014, 2015 publications have not been audited.

Jump to: Publications | Grants and Consultancies | HDR completions

Publications

2015 Institute for Frontier Materials

Brown,AH and Walsh,TR (2015) An improved TIGER2 implementation for NAMD suitable for the Blue Gene architecture, Computer Physics Communications, vol. 192, pp. 278-281, Elsevier, Amsterdam, Netherlands [C1]
ERA journal ID: 962 – Scopus EID: 2-s2.0-84925815789
DRO entry for this publication

2014 Institute for Frontier Materials

Knecht,M* and Walsh,TR (2014) Bio-inspired nanotechnology: from surface analysis to applications, in Knecht,MR and Walsh,TR (eds), Springer, Amsterdam, The Netherlands [A1]
DRO entry for this publication

Walsh,TR (2014) Fundamentals of peptide-materials interfaces, in Walsh,TR and Knecht,MR (eds), Bio-inspired nanotechnology : from surface analysis to applications, pp. 17-36, Springer, Berlin, Germany [B1]
DRO entry for this publication

Brown,AH, Rodger,PM*, Evans,JS* and Walsh,TR (2014) Equilibrium conformational ensemble of the intrinsically disordered peptide n16N: linking subdomain structures and function in nacre, Biomacromolecules, vol. 15, no. 12, pp. 4467-4479, American Chemical Society, Washington DC [C1]
ERA journal ID: 1666 – Scopus EID: 2-s2.0-84916633972
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Hughes,ZE*, Tomásio,SM* and Walsh,TR (2014) Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model., Nanoscale, vol. 6, no. 10, pp. 5438-5448, Royal Society of Chemistry, Cambridge England [C1]
ERA journal ID: 41997 – Scopus EID: 2-s2.0-84899525957
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Palafox-Hernandez,JP, Tang,Z, Hughes,ZE*, Li,Y*, Swihart,MT*, Prasad,PN*, Walsh,TR and Knecht,MR* (2014) Comparative study of materials-binding peptide interactions with gold and silver surfaces and nanostructures : A thermodynamic basis for biological selectivity of inorganic materials, Chemistry of Materials, vol. 26, no. 17, pp. 4960-4969, American Chemical Society, Washington, United States [C1]
ERA journal ID: 1423 – Scopus EID: 2-s2.0-84907965330
Citation counts: Scopus - 1
DRO entry for this publication

Wright,LB, Rodger,PM* and Walsh,TR (2014) Structure and properties of citrate overlayers adsorbed at the aqueous Au(111) interface., Langmuir, vol. 30, no. 50, pp. 15171-15180, American Chemical Society, United States [C1]
ERA journal ID: 1479 – Scopus EID: 2-s2.0-84919724857
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Wright,LB*, Merrill,NA*, Knecht,MR* and Walsh,TR (2014) Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly., ACS Applied Materials & Interfaces, vol. 6, no. 13, pp. 10524-10533, American Chemical Society, United States [C1]
ERA journal ID: 40638 – Scopus EID: 2-s2.0-84904109976
Citation counts: Scopus - 2, Thomson - 2
DRO entry for this publication

2013 Institute for Frontier Materials

Desmond, Jasmine L.*, Rodger, P. Mark* and Walsh, Tiffany R. (2013) Testing the inter-operability of the CHARMM and SPC/Fw force-fields for conformational sampling, Molecular simulation, vol. 40, no. 12, pp. 912-921, Taylor & Francis, Abingdon, England [C1]
ERA journal ID: 1207 – Scopus EID: 2-s2.0-84905866679
DRO entry for this publication

Hoang, Cam Thuy*, Prokes, Ivan*, Clarkson, Guy J.*, Rowland, Matthew J.*, Tucker, James H. R.*, Shipman, Michael* and Walsh, Tiffany R. (2013) Study of boron-nitrogen dative bonds using azetidine inversion dynamics, Chemical communications, vol. 49, no. 25, pp. 2509-2511, Royal Society of Chemistry, Cambridge, England [C1]
ERA journal ID: 1319 – Scopus EID: 2-s2.0-84874638708
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Hough, Alexander J.*, Prokes, Ivan*, Tucker, James H.R.*, Shipman, Michael* and Walsh, Tiffany R. (2013) Photochemical control of molecular motion associated with pyramidal inversion, Chemical communications, vol. 49, no. 59, pp. 6683-6685, Royal Society of Chemistry, Cambridge, England [C1]
ERA journal ID: 1319 – Scopus EID: 2-s2.0-84879744623
DRO entry for this publication

Hughes, Zac E., Wright, Louise B.* and Walsh, Tiffany R. (2013) Biomolecular adsorption at aqueous silver interfaces: first-principles calculations, polarizable force-field simulations and comparisons with gold, Langmuir, vol. 29, no. 43, pp. 13217-13329, American Chemical Society, Washington, D.C. [C1]
ERA journal ID: 1479 – Scopus EID: 2-s2.0-84887076018
Citation counts: Scopus - 1
DRO entry for this publication

Tang, Zhenghua*, Palafox-Hernandez, J.Pablo, Law, Wing-Cheung*, Hughes, Zak E., Swihart, Mark T.*, Prasad, Paras N.*, Knecht, Marc R.* and Walsh, Tiffany R. (2013) Biomolecular recognition principles for bionanocombinatorics : an integrated approach to elucidate enthalpic and entropic factors, ACS nano, vol. 7, no. 11, pp. 9632-9646, American Chemical Society, Washington, D.C. [C1]
ERA journal ID: 35029 – Scopus EID: 2-s2.0-84888857098
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Wright, Louise B.*, Rodger, P. Mark*, Walsh, Tiffany R. and Corni, Stefano* (2013) First-principles based force-field for the interaction of proteins with Au(100)(5 x 1): an extension of GolP-CHARMM, Journal of physical chemistry C, vol. 117, no. 46, pp. 24292-24306, American Chemical Society, Washington D. C. [C1]
ERA journal ID: 35015 – Scopus EID: 2-s2.0-84887100047
Citation counts: Scopus - 2, Thomson - 1
DRO entry for this publication

Wright, Louise B.*, Freeman, Colin L.* and Walsh, Tiffany R. (2013) Benzene adsorption at the aqueous (011) α-quartz interface : is surface flexibility important?, Molecular simulation, vol. 39, no. 13, pp. 1093-1102, Taylor & Francis, London, England [C1]
ERA journal ID: 1207 – Scopus EID: 2-s2.0-84886697563
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Wright, Louise B.*, Rodger, P.Mark*, Corni, Stefano* and Walsh, Tiffany R. (2013) GolP-CHARMM : First-principles based force fields for the interaction of proteins with Au(111) and Au(100), Journal of chemical theory and computation, vol. 9, no. 3, pp. 1616-1630, American Chemical Society, Washington, D.C. [C1]
ERA journal ID: 1352 – Scopus EID: 2-s2.0-84874906318
Citation counts: Scopus - 5
DRO entry for this publication

Wright, Louise B.*, Rodger, P. Mark* and Walsh, Tiffany R. (2013) Aqueous citrate: a first-principles and force-field molecular dynamics study, RSC advances, vol. 3, no. 37, pp. 16399-16409, Royal Society of Chemistry, Cambridge, England [C1]
ERA journal ID: Not matching ERA journal list
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Wright, Louise B.* and Walsh, Tiffany R. (2013) Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide, Physical chemistry chemical physics, vol. 15, no. 13, pp. 4715-4726, Royal Society of Chemistry, Cambridge, England [C1]
ERA journal ID: 1219 – Scopus EID: 2-s2.0-84874875956
Citation counts: Scopus - 1, Thomson - 1
DRO entry for this publication

Du, Nan*, Knecht, Marc R.*, Prasad, Paras N.*, Swihart, Mark T.*, Walsh, Tiffany and Zhang, Aidong* (2013) A framework for identifying affinity classes of inorganic materials binding peptide sequences, in Unknown (ed.), ACM-BCB 2013 : Proceedings of the ACM Conference on Bioinformatics, Computational Biology and Biomedical Informatics, pp. 545-551, Association for Computing Machinery, New York, NY [E1]
Citation counts: Scopus - 1
DRO entry for this publication

2012 Institute for Frontier Materials

Raiteri, Paolo*, Demichelis, Raffaella*, Gale, Julian D.*, Kellermeier, Matthias*, Gebauer, Denis*, Quigley, David*, Wright, Louise B.* and Walsh, Tiffany R. (2012) Exploring the influence of organic species on pre- and post-nucleation calcium carbonate, Faraday discussions, vol. 159, no. 1, pp. 61-85, Royal Society of Chemistry, London, England [C1]
ERA journal ID: 1436 – Scopus EID: 2-s2.0-84867946457
Citation counts: Scopus - 1, Thomson - 5
DRO entry for this publication

Wright, Louise* and Walsh, Tiffany (2012) First-principles molecular dynamics simulations of NH 4+ and CH3COO− adsorption at the aqueous quartz interface, Journal of chemical physics, vol. 137, no. 22, pp. 1-8, American Institute of Physics, College Park, Md. [C1]
ERA journal ID: 1189 – Scopus EID: 2-s2.0-84871207304
Citation counts: Scopus - 2
DRO entry for this publication

2012 External

Butenuth, Anke*, Moras, Gianpetro*, Schneider, Julian*, Koleini, Mohammad*, Koppen, Susan*, Meißner, Robert*, Wright, Louise B.*, Walsh, Tiffany R.* and Ciacchi, Lucio Colombi* (2012) Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces, Physica status solidi B, vol. 249, no. 2, pp. 292-305, Wiley, Weinheim, Germany [C1.1]
ERA journal ID: 1129 – Scopus EID: 2-s2.0-84856066182
Citation counts: Scopus - 6
DRO entry for this publication

Wright, Louise B.* and Walsh, Tiffany R.* (2012) Facet selectivity of binding on quartz surfaces: Free energy calculations of amino-acid analogue adsorption, Journal of physical chemistry C, vol. 116, no. 4, pp. 2933-2945, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 35015 – Scopus EID: 2-s2.0-84856552013
Citation counts: Scopus - 10, Thomson - 9
DRO entry for this publication

2011 External

Giordano, Luciana*, Hoang, Cam T.*, Shipman, Michael*, Tucker, James H. R.* and Walsh, Tiffany R.* (2011) Aziridine scaffolds for the detection and quantification of hydrogen-bonding interactions through transition-state stabilization, Angewandte chemie, vol. 50, no. 3, pp. 741-744, Wiley, Weinheim, Germany [C1.1]
ERA journal ID: 1313 – Scopus EID: 2-s2.0-78651383535
Citation counts: Scopus - 2, Thomson - 2
DRO entry for this publication

Hamilton, Suzanne M.*, Hopkins, W. Scott*, Harding, Dan J.*, Walsh, Tiffany R.*, Haertelt, Marko*, Kerpal, Christian*, Gruene, Philipp*, Meijer, Gerard*, Fielicke, Andre* and Mackenzie, Stuart R.* (2011) Infrared-induced reactivity of N2O on small gas-phase rhodium clusters, Journal of physical chemistry A, vol. 115, no. 12, pp. 2489-2497, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 1197 – Scopus EID: 2-s2.0-79953044666
Citation counts: Scopus - 12, Thomson - 12
DRO entry for this publication

Monti, Susanna* and Walsh, Tiffany R.* (2011) Molecular dynamics simulations of the adsorption and dynamical behavior of single DNA components on TiO 2, Journal of physical chemistry C, vol. 115, no. 49, pp. 24239-24246, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 35015 – Scopus EID: 2-s2.0-83455213418
Citation counts: Scopus - 6
DRO entry for this publication

2010 External

Friling, S. R.*, Notman, R.* and Walsh, T. R.* (2010) Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations, Nanoscale, vol. 2, no. 1, pp. 98-106, Royal Society of Chemistry, Cambridge, England [C1.1]
ERA journal ID: 41997 – Scopus EID: 2-s2.0-77952916750
Citation counts: Scopus - 7
DRO entry for this publication

Hamilton, Suzanne M.*, Hopkins, W. Scott*, Harding, Dan J.*, Walsh, Tiffany R.*, Gruene, Philipp*, Haertelt, Marko*, Fielicke, André*, Meijer, Gerard* and Mackenzie, Stuart R.* (2010) Infrared induced reactivity on the surface of isolated size-selected clusters: dissociation of N2O on rhodium clusters, Journal of the American chemical society, vol. 132, no. 5, pp. 1448-1449, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 1359 – Scopus EID: 2-s2.0-76149096294
Citation counts: Scopus - 17, Thomson - 17
DRO entry for this publication

Harding, D. J.*, Walsh, T.R.*, Hamilton, S. M.*, Hopkins, W. S.*, Mackenzie, S. R.*, Gruene, P.*, Haertelt, M.*, Meijer, G.* and Fielicke, A.* (2010) Communications: the structure of Rh8 + in the gas phase, Journal of chemical physics, vol. 132, no. 1, pp. 1-5, American Institute of Physics, College Park, Md. [C1.1]
ERA journal ID: 1189 – Scopus EID: 2-s2.0-75749099705
Citation counts: Scopus - 17
DRO entry for this publication

Harding, D. J.*, Gruene, P.*, Haertelt, M.*, Meijer, G.*, Fielicke, A.*, Hamilton, S. M.*, Hopkins, W. S.*, MacKenzie, S. R.*, Neville, S. P.* and Walsh, T. R.* (2010) Probing the structures of gas-phase rhodium cluster cations by far-infrared spectroscopy, Journal of chemical physics, vol. 133, no. 21, pp. 1-9, American Institute of Physics, College Park, Md. [C1.1]
ERA journal ID: 1189 – Scopus EID: 2-s2.0-79251513625
Citation counts: Scopus - 13
DRO entry for this publication

Monti, Susanna* and Walsh, Tiffany R.* (2010) Free energy calculations of the adsorption of amino acid analogues at the aqueous titania interface, Journal of physical chemistry C, vol. 114, no. 50, pp. 22197-22206, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 35015 – Scopus EID: 2-s2.0-79951619727
Citation counts: Scopus - 15
DRO entry for this publication

Notman, Rebecca*, Oren, E. Emre*, Tamerler, Candan*, Sarikaya, Mehmet*, Samudrala, Ram* and Walsh, Tiffany R.* (2010) Solution study of engineered quartz binding peptides using replica exchange molecular dynamics, Biomacromolecules, vol. 11, no. 12, pp. 3266-3274, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 1666 – Scopus EID: 2-s2.0-78650286456
Citation counts: Scopus - 11, Thomson - 10
DRO entry for this publication

Oren, Ersin Emre*, Notman, Rebecca*, Kim, Il Won*, Evans, John Spencer*, Walsh, Tiffany R.*, Samudrala, Ram*, Tamerler, Candan* and Sarikaya, Mehmet* (2010) Probing the molecular mechanisms of quartz-binding peptides, Langmuir, vol. 26, no. 13, pp. 11003-11009, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 1479 – Scopus EID: 2-s2.0-77954250553
Citation counts: Scopus - 24, Thomson - 23
DRO entry for this publication

Walsh, T. R.* and Tomasio, S. M.* (2010) Investigation of the influence of surface defects on peptide adsorption onto carbon nanotubes, Molecular biosystems, vol. 6, no. 9, pp. 1707-1718, Royal Society of Chemistry, Cambridge, England [C1.1]
ERA journal ID: 2260 – Scopus EID: 2-s2.0-78650271254
Citation counts: Scopus - 6, Thomson - 5
DRO entry for this publication

2009 External

Harding, Dan J.*, Mackenzie, Stuart R.* and Walsh, Tiffany R.* (2009) Density functional theory calculations of vibrational spectra of rhodium oxide clusters, Chemical physics letters, vol. 469, no. 1-3, pp. 31-34, Elsevier, Amsterdam, The Netherlands [C1.1]
ERA journal ID: 1170 – Scopus EID: 2-s2.0-58549095626
Citation counts: Scopus - 2
DRO entry for this publication

Harding, Daniel J.*, Oliver, Thomas A. A.*, Walsh, Tiffany R.*, Drewello, Thomas*, Woodruff, D. Phil*, Derrick, Peter J.* and Mackenzie, Stuart R.* (2009) Chemistry of (and on) transition metal clusters: a Fourier transform ion cyclotron resonance study of the reaction of niobium cluster cations with nitric oxide, European journal of mass spectrometry, vol. 15, no. 2, pp. 83-90, I M Publications, Chichester, England [C1.1]
ERA journal ID: 34935 – Scopus EID: 2-s2.0-65349125430
Citation counts: Scopus - 3, Thomson - 3
DRO entry for this publication

Notman, Rebecca* and Walsh, Tiffany R.* (2009) Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces, Langmuir, vol. 25, no. 3, pp. 1638-1644, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 1479 – Scopus EID: 2-s2.0-61549130300
Citation counts: Scopus - 32, Thomson - 30
DRO entry for this publication

Skelton, Adam A.*, Liang, Taining* and Walsh, Tiffany R.* (2009) Interplay of sequence, conformation, and binding at the peptide-titania interface as mediated by water, ACS applied materials and interfaces, vol. 1, no. 7, pp. 1482-1491, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 40638 – Scopus EID: 2-s2.0-77950684157
Citation counts: Scopus - 42, Thomson - 42
DRO entry for this publication

Tomasio, Susana M.* and Walsh, Tiffany R.* (2009) Modeling the binding affinity of peptides for graphitic surfaces. influences of aromatic content and interfacial shape, Journal of physical chemistry C, vol. 113, no. 20, pp. 8778-8785, American Chemical Society, Washington, D.C. [C1.1]
ERA journal ID: 35015 – Scopus EID: 2-s2.0-67649216262
Citation counts: Scopus - 37, Thomson - 36
DRO entry for this publication

Walsh, T. R.* and Liang, T.* (2009) A multipole-based water potential with implicit polarization for biomolecular simulations, Journal of computational chemistry, vol. 30, no. 6, pp. 893-899, Wiley, Hoboken, N. J. [C1.1]
ERA journal ID: 1354 – Scopus EID: 2-s2.0-65449145584
Citation counts: Scopus - 10
DRO entry for this publication

Grants and Consultancies

All years

Research Income - Other Public Sector Funding

Walsh, T. Underpinning Development in Advanced Materials with Molecular Simulation [U]

  • 2013: $50,000
  • 2012: $10,000

Research Income - Industry and Other Funding - International B (Other Income)

Prasad, P*, Prasad, P* and Walsh, T. Bio-nanocombinatorics to Achieve Precisely-Assembled Multicomponent, Functional Hybrid Nanomaterials [V.3]

  • 2013: $126,776
  • 2012: $43,391

Higher Degree by Research Completions supervised by Prof Tiffany R Walsh

No completions found or audited.

Legend:
* Not a member of Deakin University at time of output.

DRO to publications collection last synchronised: Sunday 24th May 2015 10:04pm

Deakin University acknowledges the traditional land owners of present campus sites.

4th May 2015