| Archetypal energy landscapes DJ Wales, MA Miller, TR Walsh Nature 394 (6695), 758-760, 1998 | 642 | 1998 |
| Energy landscapes: from clusters to biomolecules DJ Wales, JPK Doye, MA Miller, PN Mortenson, TR Walsh Advances in Chemical Physics 115, 1-111, 2000 | 343 | 2000 |
| GolP-CHARMM: First-principles based force fields for the interaction of proteins with Au (111) and Au (100) LB Wright, PM Rodger, S Corni, TR Walsh Journal of chemical theory and computation 9 (3), 1616-1630, 2013 | 260 | 2013 |
| Biointerface structural effects on the properties and applications of bioinspired peptide-based nanomaterials TR Walsh, MR Knecht Chemical reviews 117 (20), 12641-12704, 2017 | 192 | 2017 |
| Biomolecular recognition principles for bionanocombinatorics: an integrated approach to elucidate enthalpic and entropic factors Z Tang, JP Palafox-Hernandez, WC Law, ZE Hughes, MT Swihart, ... ACS nano 7 (11), 9632-9646, 2013 | 168 | 2013 |
| Interplay of sequence, conformation, and binding at the peptide− titania interface as mediated by water AA Skelton, T Liang, TR Walsh ACS applied materials & interfaces 1 (7), 1482-1491, 2009 | 159 | 2009 |
| Modeling the binding affinity of peptides for graphitic surfaces. Influences of aromatic content and interfacial shape SM Tomasio, TR Walsh The Journal of Physical Chemistry C 113 (20), 8778-8785, 2009 | 145 | 2009 |
| Exploring Coordination of Neodymium in Ionic Liquid: Insights to Guide Sustainable Recovery GS Dobhal, LN Pham, SA Tawfik, C Pozo-Gonzalo, TR Walsh ACS Sustainable Chemistry & Engineering 11 (39), 14614-14621, 2023 | 144 | 2023 |
| Comparative study of materials-binding peptide interactions with gold and silver surfaces and nanostructures: a thermodynamic basis for biological selectivity of inorganic … JP Palafox-Hernandez, Z Tang, ZE Hughes, Y Li, MT Swihart, PN Prasad, ... Chemistry of Materials 26 (17), 4960-4969, 2014 | 136 | 2014 |
| Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms TR Walsh, M Wilson, AP Sutton The Journal of Chemical Physics 113 (20), 9191-9201, 2000 | 128 | 2000 |
| Design rules for enhanced interfacial shear response in functionalized carbon fiber epoxy composites B Demir, LC Henderson, TR Walsh ACS applied materials & interfaces 9 (13), 11846-11857, 2017 | 126 | 2017 |
| Electrochemical surface modification of carbon fibres by grafting of amine, carboxylic and lipophilic amide groups L Servinis, KM Beggs, C Scheffler, E Wölfel, JD Randall, TR Gengenbach, ... Carbon 118, 393-403, 2017 | 118 | 2017 |
| What makes a good graphene-binding peptide? Adsorption of amino acids and peptides at aqueous graphene interfaces ZE Hughes, TR Walsh Journal of Materials Chemistry B 3 (16), 3211-3221, 2015 | 112 | 2015 |
| A robust and reproducible procedure for cross-linking thermoset polymers using molecular simulation B Demir, TR Walsh Soft matter 12 (8), 2453-2464, 2016 | 109 | 2016 |
| Molecular dynamics studies of the interactions of water and amino acid analogues with quartz surfaces R Notman, TR Walsh Langmuir 25 (3), 1638-1644, 2009 | 106 | 2009 |
| Computational chemistry for graphene-based energy applications: progress and challenges ZE Hughes, TR Walsh Nanoscale 7 (16), 6883-6908, 2015 | 100 | 2015 |
| Probing the molecular mechanisms of quartz-binding peptides EE Oren, R Notman, IW Kim, JS Evans, TR Walsh, R Samudrala, ... Langmuir 26 (13), 11003-11009, 2010 | 95 | 2010 |
| Controlled synthesis of highly-branched plasmonic gold nanoparticles through peptoid engineering F Yan, L Liu, TR Walsh, Y Gong, PZ El-Khoury, Y Zhang, Z Zhu, ... Nature communications 9 (1), 2327, 2018 | 94 | 2018 |
| Sequence-dependent structure/function relationships of catalytic peptide-enabled gold nanoparticles generated under ambient synthetic conditions NM Bedford, ZE Hughes, Z Tang, Y Li, BD Briggs, Y Ren, MT Swihart, ... Journal of the American Chemical Society 138 (2), 540-548, 2016 | 94 | 2016 |
| Rearrangements of the water trimer TR Walsh, DJ Wales Journal of the Chemical Society, Faraday Transactions 92 (14), 2505-2517, 1996 | 92 | 1996 |
Marc R. KnechtProfessor of Chemistry, University of MiamiVerified email at miami.edu
