| Year |
Citation |
Score |
| 2023 |
Brooks SC, Jin R, Zerbach VC, Zhang Y, Walsh TR, Rosi NL. Single Amino Acid Modifications for Controlling the Helicity of Peptide-Based Chiral Gold Nanoparticle Superstructures. Journal of the American Chemical Society. 145: 6546-6553. PMID 36912863 DOI: 10.1021/jacs.3c00827 |
0.312 |
|
| 2022 |
Pham LN, Walsh TR. Predicting biomolecule adsorption on MoS nanosheets with high structural fidelity. Chemical Science. 13: 5186-5195. PMID 35655578 DOI: 10.1039/d1sc06814h |
0.341 |
|
| 2020 |
Brljak N, Parab AD, Rao R, Slocik JM, Naik RR, Knecht MR, Walsh TR. Material composition and peptide sequence affects biomolecule affinity to and selectivity for h-boron nitride and graphene. Chemical Communications (Cambridge, England). PMID 32632430 DOI: 10.1039/D0Cc02635B |
0.351 |
|
| 2020 |
Awuah JB, Walsh TR. Side-chain effects on the co-existence of emergent nanopatterns in amino acid adlayers on graphene. Nanoscale. PMID 32568329 DOI: 10.1039/D0Nr01333A |
0.323 |
|
| 2020 |
Iqbal S, Walsh TR, Rodger A, Packer NH. Interaction between Polysialic acid and MARCKS-ED peptide at the molecular level. Acs Chemical Neuroscience. PMID 32412743 DOI: 10.1021/Acschemneuro.0C00139 |
0.379 |
|
| 2020 |
Awuah JB, Walsh TR. Predictions of Pattern Formation in Amino Acid Adlayers at the In Vacuo Graphene Interface: Influence of Termination State Small. 16: 1903403. PMID 31663292 DOI: 10.1002/Smll.201903403 |
0.32 |
|
| 2020 |
Drew KLM, Walsh TR. DNA Hairpin Adsorption on Gold Surfaces: Temperature and Salt Concentration Effects on Structure Australian Journal of Chemistry. DOI: 10.1071/Ch19533 |
0.353 |
|
| 2020 |
Parab AD, Budi A, Slocik JM, Rao R, Naik RR, Walsh TR, Knecht MR. Molecular-Level Insights into Biologically Driven Graphite Exfoliation for the Generation of Graphene in Aqueous Media The Journal of Physical Chemistry C. 124: 2219-2228. DOI: 10.1021/Acs.Jpcc.9B10363 |
0.34 |
|
| 2020 |
Vuković F, Swan SR, Reyes LQ, Varley RJ, Walsh TR. Beyond the ring flip: A molecular signature of the glass–rubber transition in tetrafunctional epoxy resins Polymer. 206: 122893. DOI: 10.1016/J.Polymer.2020.122893 |
0.318 |
|
| 2020 |
Eyckens DJ, Demir B, Randall JD, Gengenbach TR, Servinis L, Walsh TR, Henderson LC. Using molecular entanglement as a strategy to enhance carbon fiber-epoxy composite interfaces Composites Science and Technology. 196: 108225. DOI: 10.1016/J.Compscitech.2020.108225 |
0.366 |
|
| 2019 |
Brown AH, Walsh TR. Elucidating Polymorph-Selective Bioadsorption on Chitin Surfaces Acs Biomaterials Science & Engineering. 5: 594-602. PMID 33405823 DOI: 10.1021/Acsbiomaterials.8B01260 |
0.365 |
|
| 2019 |
Budi A, Walsh TR. A Bespoke Force Field To Describe Biomolecule Adsorption at the Aqueous Boron Nitride Interface. Langmuir. 35: 16234-16243. PMID 31714785 DOI: 10.1021/Acs.Langmuir.9B03121 |
0.353 |
|
| 2019 |
Walsh TR, Knecht MR. Biomolecular Materials Recognition in Two Dimensions: Peptide Binding to Graphene, h-BN and MoS2 Nanosheets as Unique Bioconjugates. Bioconjugate Chemistry. PMID 31593454 DOI: 10.1021/Acs.Bioconjchem.9B00593 |
0.365 |
|
| 2019 |
Mokashi-Punekar S, Walsh TR, Rosi NL. Tuning the Structure and Chiroptical Properties of Gold Nanoparticle Single Helices via Peptide Sequence Variation. Journal of the American Chemical Society. PMID 31487169 DOI: 10.1021/Jacs.9B08798 |
0.359 |
|
| 2019 |
Bansal R, Care A, Lord MS, Walsh TR, Sunna A. Experimental and theoretical tools to elucidate the binding mechanisms of solid-binding peptides. New Biotechnology. PMID 30954671 DOI: 10.1016/J.Nbt.2019.04.001 |
0.395 |
|
| 2019 |
Arnold CL, Eyckens DJ, Servinis L, Nave MD, Yin H, Marceau RKW, Pinson J, Demir B, Walsh TR, Henderson LC. Simultaneously increasing the hydrophobicity and interfacial adhesion of carbon fibres: a simple pathway to install passive functionality into composites Journal of Materials Chemistry. 7: 13483-13494. DOI: 10.1039/C9Ta02436K |
0.323 |
|
| 2019 |
Demir B, Chan K, Yang D, Mouritz A, Lin H, Jia B, Lau K, Walsh TR. Epoxy-gold nanoparticle nanocomposites with enhanced thermo-mechanical properties: An integrated modelling and experimental study Composites Science and Technology. 174: 106-116. DOI: 10.1016/J.Compscitech.2019.02.020 |
0.326 |
|
| 2019 |
Randall JD, Eyckens DJ, Servinis L, Stojcevski F, O'Dell LA, Gengenbach TR, Demir B, Walsh TR, Henderson LC. Designing carbon fiber composite interfaces using a ‘graft-to’ approach: Surface grafting density versus interphase penetration Carbon. 146: 88-96. DOI: 10.1016/J.Carbon.2019.01.064 |
0.305 |
|
| 2018 |
Lawrence RL, Hughes ZE, Cendan VJ, Liu Y, Lim CK, Prasad PN, Swihart MT, Walsh TR, Knecht MR. Optical Control of Nanoparticle Catalysis Influenced by Photoswitch Positioning in Hybrid Peptide Capping Ligands. Acs Applied Materials & Interfaces. PMID 30185023 DOI: 10.1021/Acsami.8B10582 |
0.384 |
|
| 2018 |
Sultan AM, Hughes ZE, Walsh TR. Effect of calcium ions on peptide adsorption at the aqueous rutile titania (110) interface. Biointerphases. 13: 06D403. PMID 30180596 DOI: 10.1116/1.5046531 |
0.417 |
|
| 2018 |
Yan F, Liu L, Walsh TR, Gong Y, El-Khoury PZ, Zhang Y, Zhu Z, De Yoreo JJ, Engelhard MH, Zhang X, Chen CL. Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering. Nature Communications. 9: 2327. PMID 29899378 DOI: 10.1038/S41467-018-04789-2 |
0.324 |
|
| 2018 |
Rutter G, Brown AH, Quigley DR, Walsh TR, Allen MP. Emergence of order in self-assembly of the intrinsically disordered biomineralisation peptide n16N Molecular Simulation. 44: 463-469. DOI: 10.1080/08927022.2017.1405158 |
0.354 |
|
| 2018 |
Laurien M, Demir B, Büttemeyer H, Herrmann AS, Walsh TR, Ciacchi LC. Atomistic Modeling of the Formation of a Thermoset/Thermoplastic Interphase during Co-Curing Macromolecules. 51: 3983-3993. DOI: 10.1021/Acs.Macromol.8B00736 |
0.309 |
|
| 2018 |
Hughes ZE, Walsh TR. Distinct Differences in Peptide Adsorption on Palladium and Gold: Introducing a Polarizable Model for Pd(111) Journal of Physical Chemistry C. 122: 19625-19638. DOI: 10.1021/Acs.Jpcc.8B05860 |
0.415 |
|
| 2018 |
Nguyen MA, Hughes ZE, Liu Y, Li Y, Swihart MT, Knecht MR, Walsh TR. Peptide-Mediated Growth and Dispersion of Au Nanoparticles in Water via Sequence Engineering The Journal of Physical Chemistry C. 122: 11532-11542. DOI: 10.1021/Acs.Jpcc.8B02392 |
0.355 |
|
| 2018 |
Demir B, Beggs KM, Fox BL, Servinis L, Henderson LC, Walsh TR. A predictive model of interfacial interactions between functionalised carbon fibre surfaces cross-linked with epoxy resin Composites Science and Technology. 159: 127-134. DOI: 10.1016/J.Compscitech.2018.02.029 |
0.369 |
|
| 2017 |
Hughes ZE, Walsh TR. Probing nano-patterned peptide self-organisation at the aqueous graphene interface. Nanoscale. 10: 302-311. PMID 29210426 DOI: 10.1039/C7Nr06441A |
0.397 |
|
| 2017 |
Walsh TR. Molecular Modelling of Peptide-Based Materials for Biomedical Applications. Advances in Experimental Medicine and Biology. 1030: 37-50. PMID 29081049 DOI: 10.1007/978-3-319-66095-0_3 |
0.347 |
|
| 2017 |
Hughes ZE, Walsh TR. Structural Disruption of an Adenosine-Binding DNA Aptamer on Graphene: Implications for Aptasensor Design. Acs Sensors. PMID 29063764 DOI: 10.1021/Acssensors.7B00435 |
0.342 |
|
| 2017 |
Desmond JL, Juhl K, Hassenkam T, Stipp SLS, Walsh TR, Rodger PM. Organic-Silica Interactions in Saline: Elucidating the Structural Influence of Calcium in Low-Salinity Enhanced Oil Recovery. Scientific Reports. 7: 10944. PMID 28887490 DOI: 10.1038/S41598-017-10327-9 |
0.355 |
|
| 2017 |
Hughes ZE, Wei G, Drew KLM, Colombi Ciacchi L, Walsh TR. Adsorption of DNA Fragments at Aqueous Graphite and Au(111) via Integration of Experiment and Simulation. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28885033 DOI: 10.1021/Acs.Langmuir.7B02480 |
0.373 |
|
| 2017 |
Walsh TR, Knecht MR. Biointerface Structural Effects on the Properties and Applications of Bioinspired Peptide-Based Nanomaterials. Chemical Reviews. PMID 28849640 DOI: 10.1021/Acs.Chemrev.7B00139 |
0.411 |
|
| 2017 |
Walsh TR. Pathways to Structure-Property Relationships of Peptide-Materials Interfaces: Challenges in Predicting Molecular Structures. Accounts of Chemical Research. PMID 28665581 DOI: 10.1021/Acs.Accounts.7B00065 |
0.445 |
|
| 2017 |
Hughes ZE, Kochandra R, Walsh TR. Facet-Specific Adsorption of Tri-peptides at Aqueous Au Interfaces: Open Questions in Reconciling Experiment and Simulation. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28358489 DOI: 10.1021/Acs.Langmuir.6B04558 |
0.438 |
|
| 2017 |
Demir B, Henderson LC, Walsh TR. Design Rules for Enhanced Interfacial Shear Response in Functionalized Carbon Fiber Epoxy Composites. Acs Applied Materials & Interfaces. PMID 28317383 DOI: 10.1021/Acsami.6B16041 |
0.334 |
|
| 2017 |
Hughes ZE, Baev A, Prasad PN, Walsh TR. Halo-substituted azobenzenes adsorbed at Ag(111) and Au(111) interfaces: Structures and optical properties Physical Review B. 95: 205425. DOI: 10.1103/Physrevb.95.205425 |
0.364 |
|
| 2017 |
Servinis L, Beggs KM, Gengenbach TR, Doeven EH, Francis PS, Fox BL, Pringle JM, Pozo-Gonzalo C, Walsh TR, Henderson LC. Tailoring the fibre-to-matrix interface using click chemistry on carbon fibre surfaces Journal of Materials Chemistry A. 5: 11204-11213. DOI: 10.1039/C7Ta00922D |
0.307 |
|
| 2017 |
Servinis L, Beggs KM, Scheffler C, Wölfel E, Randall JD, Gengenbach TR, Demir B, Walsh TR, Doeven EH, Francis PS, Henderson LC. Electrochemical surface modification of carbon fibres by grafting of amine, carboxylic and lipophilic amide groups Carbon. 118: 393-403. DOI: 10.1016/J.Carbon.2017.03.064 |
0.323 |
|
| 2016 |
Hughes ZE, Nguyen MA, Li Y, Swihart MT, Walsh TR, Knecht MR. Elucidating the influence of materials-binding peptide sequence on Au surface interactions and colloidal stability of Au nanoparticles. Nanoscale. PMID 27929192 DOI: 10.1039/C6Nr07890G |
0.421 |
|
| 2016 |
Briggs BD, Palafox-Hernandez JP, Li Y, Lim CK, Woehl TJ, Bedford NM, Seifert S, Swihart MT, Prasad PN, Walsh TR, Knecht MR. Toward a modular multi-material nanoparticle synthesis and assembly strategy via bionanocombinatorics: bifunctional peptides for linking Au and Ag nanomaterials. Physical Chemistry Chemical Physics : Pccp. PMID 27801441 DOI: 10.1039/C6Cp06135D |
0.373 |
|
| 2016 |
Hughes ZE, Walsh TR. Elucidating the mechanisms of nanodiamond-promoted structural disruption of crystallised lipid. Soft Matter. PMID 27722729 DOI: 10.1039/C6Sm01155A |
0.333 |
|
| 2016 |
Bedford NM, Showalter AR, Woehl TJ, Hughes ZE, Lee S, Reinhart B, Ertem SP, Coughlin EB, Ren Y, Walsh TR, Bunker BA. Peptide-Directed PdAu Nanoscale Surface Segregation: Toward Controlled Bimetallic Architecture for Catalytic Materials. Acs Nano. PMID 27583654 DOI: 10.1021/Acsnano.6B03963 |
0.42 |
|
| 2016 |
Brown AH, Walsh TR. Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces. Carbohydrate Polymers. 151: 916-25. PMID 27474640 DOI: 10.1016/J.Carbpol.2016.05.116 |
0.348 |
|
| 2016 |
Sultan A, Westcott Z, Hughes ZE, Palafox-Hernandez JP, Giesa T, Puddu V, Buehler MJ, Perry CC, Walsh TR. Aqueous Peptide-TiO2 Interfaces: Iso-energetic Binding via either Entropically- or Enthalpically-driven Mechanisms. Acs Applied Materials & Interfaces. PMID 27355097 DOI: 10.1021/Acsami.6B05200 |
0.406 |
|
| 2016 |
Hughes ZE, Walsh TR. Non-covalent adsorption of amino acid analogues on noble-metal nanoparticles: influence of edges and vertices. Physical Chemistry Chemical Physics : Pccp. PMID 27301451 DOI: 10.1039/C6Cp02323A |
0.365 |
|
| 2016 |
Lim CK, Li X, Li Y, Drew KL, Palafox-Hernandez JP, Tang Z, Baev A, Kuzmin AN, Knecht MR, Walsh TR, Swihart MT, Ågren H, Prasad PN. Plasmon-enhanced two-photon-induced isomerization for highly-localized light-based actuation of inorganic/organic interfaces. Nanoscale. PMID 26830974 DOI: 10.1039/C5Nr07973J |
0.304 |
|
| 2016 |
Demir B, Walsh TR. A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation. Soft Matter. PMID 26822527 DOI: 10.1039/C5Sm02788H |
0.325 |
|
| 2016 |
Munro CJ, Hughes ZE, Walsh TR, Knecht MR. Peptide Sequence Effects Control the Single Pot Reduction, Nucleation, and Growth of Au Nanoparticles The Journal of Physical Chemistry C. 120: 18917-18924. DOI: 10.1021/Acs.Jpcc.6B06046 |
0.361 |
|
| 2015 |
Hughes ZE, Walsh TR. What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces Journal of Materials Chemistry B. 3: 3211-3221. PMID 32262315 DOI: 10.1039/C5Tb00004A |
0.41 |
|
| 2015 |
Wright LB, Palafox-Hernandez JP, Rodger PM, Corni S, Walsh TR. Facet selectivity in gold binding peptides: exploiting interfacial water structure. Chemical Science. 6: 5204-5214. PMID 29449926 DOI: 10.1039/C5Sc00399G |
0.451 |
|
| 2015 |
Palafox-Hernandez JP, Lim CK, Tang Z, Drew KL, Hughes ZE, Li Y, Swihart MT, Prasad PN, Knecht MR, Walsh TR. Optical Actuation of Inorganic/Organic Interfaces: Comparing Peptide-Azobenzene Ligand Reconfiguration on Gold and Silver Nanoparticles. Acs Applied Materials & Interfaces. PMID 26684587 DOI: 10.1021/Acsami.5B11989 |
0.387 |
|
| 2015 |
Bedford NM, Hughes ZE, Tang Z, Li Y, Briggs BD, Ren Y, Swihart MT, Petkov VG, Naik RR, Knecht MR, Walsh TR. Sequence-Dependent Structure/Function Relationships of Catalytic Peptide-Enabled Gold Nanoparticles Generated under Ambient Synthetic Conditions. Journal of the American Chemical Society. PMID 26679562 DOI: 10.1021/Jacs.5B09529 |
0.42 |
|
| 2015 |
Rutter GO, Brown AH, Quigley D, Walsh TR, Allen MP. Testing the transferability of a coarse-grained model to intrinsically disordered proteins. Physical Chemistry Chemical Physics : Pccp. PMID 26562397 DOI: 10.1039/C5Cp05652G |
0.321 |
|
| 2015 |
Du N, Knecht MR, Swihart MT, Tang Z, Walsh TR, Zhang A. Identifying Affinity Classes of Inorganic Materials Binding Sequences via a Graph-Based Model. Ieee/Acm Transactions On Computational Biology and Bioinformatics / Ieee, Acm. 12: 193-204. PMID 26357089 DOI: 10.1109/Tcbb.2014.2321158 |
0.329 |
|
| 2015 |
Tang Z, Lim CK, Palafox-Hernandez JP, Drew KL, Li Y, Swihart MT, Prasad PN, Walsh TR, Knecht MR. Triggering nanoparticle surface ligand rearrangement via external stimuli: light-based actuation of biointerfaces. Nanoscale. 7: 13638-45. PMID 26205625 DOI: 10.1039/C5Nr02311D |
0.411 |
|
| 2015 |
Church AT, Hughes ZE, Walsh TR. Improving the description of interactions between Ca2+ and protein carboxylate groups, including γ-carboxyglutamic acid: revised CHARMM22∗ parameters Rsc Advances. 5: 67820-67828. DOI: 10.1039/C5Ra11268K |
0.311 |
|
| 2015 |
Hughes ZE, Walsh TR. Tristearin bilayers: structure of the aqueous interface and stability in the presence of surfactants Rsc Advances. 5: 49933-49943. DOI: 10.1039/C5Ra09192F |
0.35 |
|
| 2014 |
Brown AH, Rodger PM, Evans JS, Walsh TR. Equilibrium conformational ensemble of the intrinsically disordered peptide n16N: linking subdomain structures and function in nacre. Biomacromolecules. 15: 4467-79. PMID 25380651 DOI: 10.1021/Bm501263S |
0.375 |
|
| 2014 |
Sultan AM, Hughes ZE, Walsh TR. Binding affinities of amino acid analogues at the charged aqueous titania interface: implications for titania-binding peptides. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 13321-9. PMID 25317483 DOI: 10.1021/La503312D |
0.372 |
|
| 2014 |
Hughes ZE, Walsh TR. Structure of the electrical double layer at aqueous gold and silver interfaces for saline solutions. Journal of Colloid and Interface Science. 436: 99-110. PMID 25265591 DOI: 10.1016/J.Jcis.2014.08.045 |
0.325 |
|
| 2014 |
Wright LB, Merrill NA, Knecht MR, Walsh TR. Structure of arginine overlayers at the aqueous gold interface: implications for nanoparticle assembly. Acs Applied Materials & Interfaces. 6: 10524-33. PMID 24914448 DOI: 10.1021/Am502119G |
0.35 |
|
| 2014 |
Hughes ZE, Tomásio SM, Walsh TR. Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model. Nanoscale. 6: 5438-48. PMID 24722915 DOI: 10.1039/C4Nr00468J |
0.407 |
|
| 2014 |
Desmond JL, Rodger PM, Walsh TR. Testing the inter-operability of the CHARMM and SPC/Fw force fields for conformational sampling Molecular Simulation. 40: 912-921. DOI: 10.1080/08927022.2013.824574 |
0.343 |
|
| 2014 |
Palafox-Hernandez JP, Tang Z, Hughes ZE, Li Y, Swihart MT, Prasad PN, Walsh TR, Knecht MR. 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. 26: 4960-4969. DOI: 10.1021/Cm501529U |
0.42 |
|
| 2013 |
Wright LB, Rodger PM, Corni S, Walsh TR. GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100). Journal of Chemical Theory and Computation. 9: 1616-30. PMID 26587623 DOI: 10.1021/Ct301018M |
0.382 |
|
| 2013 |
Tang Z, Palafox-Hernandez JP, Law WC, Hughes ZE, Swihart MT, Prasad PN, Knecht MR, Walsh TR. Biomolecular recognition principles for bionanocombinatorics: an integrated approach to elucidate enthalpic and entropic factors. Acs Nano. 7: 9632-46. PMID 24124916 DOI: 10.1021/Nn404427Y |
0.413 |
|
| 2013 |
Hughes ZE, Wright LB, Walsh TR. Biomolecular adsorption at aqueous silver interfaces: First-principles calculations, polarizable force-field simulations, and comparisons with gold Langmuir. 29: 13217-13229. PMID 24079907 DOI: 10.1021/La402839Q |
0.397 |
|
| 2013 |
Akdim B, Pachter R, Kim SS, Naik RR, Walsh TR, Trohalaki S, Hong G, Kuang Z, Farmer BL. Electronic properties of a graphene device with peptide adsorption: insight from simulation. Acs Applied Materials & Interfaces. 5: 7470-7. PMID 23869852 DOI: 10.1021/Am401731C |
0.377 |
|
| 2013 |
Wright LB, Walsh TR. Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: Insights from a quartz binding peptide Physical Chemistry Chemical Physics. 15: 4715-4726. PMID 23423310 DOI: 10.1039/C3Cp42921K |
0.417 |
|
| 2013 |
Wright LB, Freeman CL, Walsh TR. Benzene adsorption at the aqueous (0 1 1) α-quartz interface: Is surface flexibility important? Molecular Simulation. 39: 1093-1102. DOI: 10.1080/08927022.2013.796589 |
0.373 |
|
| 2013 |
Wright LB, Rodger PM, Walsh TR. Aqueous citrate: A first-principles and force-field molecular dynamics study Rsc Advances. 3: 16399-16409. DOI: 10.1039/C3Ra42437E |
0.327 |
|
| 2013 |
Wright LB, Rodger PM, Walsh TR, Corni S. First-principles-based force field for the interaction of proteins with Au(100)(5 × 1): An extension of GolP-CHARMM Journal of Physical Chemistry C. 117: 24292-24306. DOI: 10.1021/Jp4061329 |
0.443 |
|
| 2012 |
Wright LB, Walsh TR. First-principles molecular dynamics simulations of NH 4 + and CH3COO- adsorption at the aqueous quartz interface Journal of Chemical Physics. 137. PMID 23249021 DOI: 10.1063/1.4769727 |
0.395 |
|
| 2012 |
Wright LB, Walsh TR. Facet selectivity of binding on quartz surfaces: Free energy calculations of amino-acid analogue adsorption Journal of Physical Chemistry C. 116: 2933-2945. DOI: 10.1021/Jp209554G |
0.416 |
|
| 2012 |
Butenuth A, Moras G, Schneider J, Koleini M, Köppen S, Meißner R, Wright LB, Walsh TR, Ciacchi LC. Back Cover: Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO2/water interfaces (Phys. Status Solidi B 2/2012) Physica Status Solidi B-Basic Solid State Physics. 249. DOI: 10.1002/Pssb.201290001 |
0.328 |
|
| 2012 |
Butenuth A, Moras G, Schneider J, Koleini M, Köppen S, Meißner R, Wright LB, Walsh TR, Ciacchi LC. Ab initio derived force-field parameters for molecular dynamics simulations of deprotonated amorphous-SiO 2/water interfaces Physica Status Solidi (B) Basic Research. 249: 292-305. DOI: 10.1002/Pssb.201100786 |
0.366 |
|
| 2011 |
Monti S, Walsh TR. Molecular Dynamics Simulations of the Adsorption and Dynamical Behavior of Single DNA Components on TiO2 Journal of Physical Chemistry C. 115: 24238-24246. DOI: 10.1021/Jp207950P |
0.398 |
|
| 2010 |
Notman R, Oren EE, Tamerler C, Sarikaya M, Samudrala R, Walsh TR. Solution study of engineered quartz binding peptides using replica exchange molecular dynamics Biomacromolecules. 11: 3266-3274. PMID 20964422 DOI: 10.1021/Bm100646Z |
0.412 |
|
| 2010 |
Friling SR, Notman R, Walsh TR. Probing diameter-selective solubilisation of carbon nanotubes by reversible cyclic peptides using molecular dynamics simulations Nanoscale. 2: 98-106. PMID 20648370 DOI: 10.1039/B9Nr00226J |
0.366 |
|
| 2010 |
Walsh TR, Tomasio SdM. Investigation of the influence of surface defects on peptide adsorption onto carbon nanotubes Molecular Biosystems. 6: 1707-1718. PMID 20539883 DOI: 10.1039/C003417G |
0.387 |
|
| 2010 |
Oren EE, Notman R, Kim IW, Evans JS, Walsh TR, Samudrala R, Tamerler C, Sarikaya M. Probing the molecular mechanisms of quartz-binding peptides Langmuir. 26: 11003-11009. PMID 20499870 DOI: 10.1021/La100049S |
0.427 |
|
| 2010 |
Harding DJ, Walsh TR, Hamilton SM, Hopkins WS, Mackenzie SR, Gruene P, Haertelt M, Meijer G, Fielicke A. Communications: The structure of Rh(8) (+) in the gas phase. The Journal of Chemical Physics. 132: 011101. PMID 20078142 DOI: 10.1063/1.3285266 |
0.323 |
|
| 2010 |
Monti S, Walsh TR. Free Energy Calculations of the Adsorption of Amino Acid Analogues at the Aqueous Titania Interface Journal of Physical Chemistry C. 114: 22197-22206. DOI: 10.1021/Jp107859Q |
0.444 |
|
| 2009 |
Skelton AA, Liang T, Walsh TR. Interplay of sequence, conformation, and binding at the Peptide-titania interface as mediated by water. Acs Applied Materials & Interfaces. 1: 1482-91. PMID 20355952 DOI: 10.1021/Am9001666 |
0.432 |
|
| 2009 |
Notman R, Walsh TR. Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 1638-44. PMID 19125653 DOI: 10.1021/La803324X |
0.403 |
|
| 2009 |
Walsh TR, Liang T. A multipole-based water potential with implicit polarization for biomolecular simulations. Journal of Computational Chemistry. 30: 893-899. PMID 18785240 DOI: 10.1002/Jcc.21111 |
0.319 |
|
| 2009 |
Tomasio SdM, Walsh TR. Modeling the Binding Affinity of Peptides for Graphitic Surfaces. Influences of Aromatic Content and Interfacial Shape Journal of Physical Chemistry C. 113: 8778-8785. DOI: 10.1021/Jp8087594 |
0.409 |
|
| 2009 |
Harding DJ, Mackenzie SR, Walsh TR. Density functional theory calculations of vibrational spectra of rhodium oxide clusters Chemical Physics Letters. 469: 31-34. DOI: 10.1016/J.Cplett.2008.12.053 |
0.312 |
|
| 2008 |
Evans JS, Samudrala R, Walsh TR, Oren EE, Tamerler C. Molecular design of inorganic-binding polypeptides Mrs Bulletin. 33: 514-518. DOI: 10.1557/Mrs2008.103 |
0.379 |
|
| 2008 |
Walsh TR. Modelling the nanoscale patterning of nucleic acid base pairs deposited on graphite Molecular Physics. 106: 1613-1619. DOI: 10.1080/00268970802225533 |
0.355 |
|
| 2007 |
Skelton AA, Walsh TR. Interaction of liquid water with the rutile TiO2 (110) surface Molecular Simulation. 33: 379-389. DOI: 10.1080/17441690701191693 |
0.352 |
|
| 2007 |
Liang T, Walsh TR. Simulation of the hydration structure of glycyl-alanine Molecular Simulation. 33: 337-342. DOI: 10.1080/08927020601155378 |
0.315 |
|
| 2007 |
Tomásio SDM, Walsh TR. Atomistic modelling of the interaction between peptides and carbon nanotubes Molecular Physics. 105: 221-229. DOI: 10.1080/00268970701197445 |
0.403 |
|
| 2006 |
Liang T, Walsh TR. Molecular dynamics simulations of peptide carboxylate hydration. Physical Chemistry Chemical Physics. 8: 4410-4419. PMID 17001408 DOI: 10.1039/B608672A |
0.362 |
|
| 2006 |
Harding D, Mackenzie SR, Walsh TR. Structural isomers and reactivity for Rh6 and Rh6+. The Journal of Physical Chemistry. B. 110: 18272-7. PMID 16970446 DOI: 10.1021/Jp062603O |
0.312 |
|
| 2006 |
Walsh TR. Relaxation dynamics and structural isomerism in Nb10 and Nb10 Journal of Chemical Physics. 124: 204317-204317. PMID 16774342 DOI: 10.1063/1.2201997 |
0.355 |
|
| 2005 |
Walsh TR. Exact exchange and Wilson-Levy correlation: a pragmatic device for studying complex weakly-bonded systems. Physical Chemistry Chemical Physics. 7: 443-451. PMID 19785128 DOI: 10.1039/B415563G |
0.302 |
|
| 2003 |
Lorenz S, Walsh TR, Sutton AP. Towards an anisotropic bead-spring model for ribbonlike polymers: Monte Carlo simulations of liquid benzene Journal of Chemical Physics. 119: 2903-2907. DOI: 10.1063/1.1586254 |
0.335 |
|
| 2002 |
Walsh TR. An ab initio study of the low energy structures of the naphthalene dimer Chemical Physics Letters. 363: 45-51. DOI: 10.1016/S0009-2614(02)01147-8 |
0.317 |
|
| 2000 |
Walsh TR, Wilson M, Sutton AP. Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms Journal of Chemical Physics. 113: 9191-9201. DOI: 10.1063/1.1320057 |
0.332 |
|
| 2000 |
Wilson M, Walsh TR. Hydrolysis of the amorphous silica surface. I. Structure and dynamics of the dry surface Journal of Chemical Physics. 113: 9180-9190. DOI: 10.1063/1.1320056 |
0.353 |
|
| 1998 |
Walsh TR, Wales DJ. Relaxation dynamics of C60 The Journal of Chemical Physics. 109: 6691-6700. DOI: 10.1063/1.477319 |
0.311 |
|
| 1996 |
Wales DJ, Walsh TR. Theoretical study of the water pentamer The Journal of Chemical Physics. 105: 6957-6971. DOI: 10.1063/1.471987 |
0.307 |
|
| 1996 |
Walsh TR, Wales DJ. Rearrangements of the water trimer Journal of the Chemical Society, Faraday Transactions. 92: 2505. DOI: 10.1039/Ft9969202505 |
0.314 |
|
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