| Ring puckering: a metric for evaluating the accuracy of AM1, PM3, PM3CARB-1, and SCC-DFTB carbohydrate QM/MM simulations CB Barnett, KJ Naidoo The Journal of Physical Chemistry B 114 (51), 17142-17154, 2010 | 102 | 2010 |
| Stereoelectronic and solvation effects determine hydroxymethyl conformational preferences in monosaccharides CB Barnett, KJ Naidoo The Journal of Physical Chemistry B 112 (48), 15450-15459, 2008 | 63 | 2008 |
| Molecular details from computational reaction dynamics for the cellobiohydrolase I glycosylation reaction CB Barnett, KA Wilkinson, KJ Naidoo Journal of the American Chemical Society 133 (48), 19474-19482, 2011 | 53 | 2011 |
| Free Energies from Adaptive Reaction Coordinate Forces (FEARCF): an application to ring puckering CB Barnett, KJ Naidoo Molecular Physics 107 (8-12), 1243-1250, 2009 | 53 | 2009 |
| Pyranose ring transition state is derived from cellobiohydrolase I induced conformational stability and glycosidic bond polarization CB Barnett, KA Wilkinson, KJ Naidoo Journal of the American Chemical Society 132 (37), 12800-12803, 2010 | 51 | 2010 |
| The garlic compound ajoene covalently binds vimentin, disrupts the vimentin network and exerts anti-metastatic activity in cancer cells CH Kaschula, R Tuveri, E Ngarande, K Dzobo, C Barnett, DA Kusza, ... BMC cancer 19, 1-16, 2019 | 50 | 2019 |
| ProtoCaller: robust automation of binding free energy calculations M Suruzhon, T Senapathi, MS Bodnarchuk, R Viner, ID Wall, CB Barnett, ... Journal of Chemical Information and Modeling 60 (4), 1917-1921, 2020 | 20 | 2020 |
| Quinoline-triazole half-sandwich iridium (III) complexes: synthesis, antiplasmodial activity and preliminary transfer hydrogenation studies DR Melis, CB Barnett, L Wiesner, E Nordlander, GS Smith Dalton Transactions 49 (33), 11543-11555, 2020 | 17 | 2020 |
| Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial SA Bray, T Senapathi, CB Barnett, BA Grüning Journal of Cheminformatics 12 (1), 54, 2020 | 16 | 2020 |
| Biomolecular reaction and interaction dynamics global environment (BRIDGE) T Senapathi, S Bray, CB Barnett, B Grüning, KJ Naidoo Bioinformatics 35 (18), 3508-3509, 2019 | 13 | 2019 |
| BRIDGE: an open platform for reproducible high-throughput free energy simulations T Senapathi, M Suruzhon, CB Barnett, J Essex, KJ Naidoo Journal of Chemical Information and Modeling 60 (11), 5290-5295, 2020 | 11 | 2020 |
| The Glycome Analytics Platform an integrative framework for glycobioinformatics CB Barnett, KF Aoki-Kinoshita, KJ Naidoo Bioinformatics 32 (19), 3005-3011, 2016 | 11 | 2016 |
| Interpreting medium ring canonical conformers by a triangular plane tessellation of the macrocycle P Khalili, CB Barnett, KJ Naidoo The Journal of chemical physics 138 (18), 2013 | 11 | 2013 |
| The Garlic Compound Z‐Ajoene, S‐Thiolates COX2 and STAT3 and Dampens the Inflammatory Response in RAW264.7 Macrophages JK Hitchcock, N Mkwanazi, C Barnett, LM Graham, AA Katz, R Hunter, ... Molecular Nutrition & Food Research 65 (3), 2000854, 2021 | 10 | 2021 |
| Calculating Ring Pucker Free Energy Surfaces From Reaction Coordinate Forces CB Barnett, KJ Naidoo AIP Conference Proceedings 1102 (1), 214-218, 2009 | 5 | 2009 |
| Discovery of novel cyclic ethers with synergistic antiplasmodial activity in combination with valinomycin DJ Watson, PR Meyers, KS Acquah, GA Dziwornu, CB Barnett, L Wiesner Molecules 26 (24), 7494, 2021 | 4 | 2021 |
| Comparative ligand structural analytics illustrated on variably glycosylated MUC1 antigen–antibody binding CB Barnett, T Senapathi, KJ Naidoo Beilstein Journal of Organic Chemistry 16 (1), 2540-2550, 2020 | 4 | 2020 |
| PNP diminishes guanosine glycosidic bond strength through restrictive ring pucker as a precursor to phosphorylation CB Barnett, KJ Naidoo The Journal of Physical Chemistry B 117 (20), 6019-6026, 2013 | 4 | 2013 |
| Hands-on: Hands-on: Galaxy 101 for everyone A Fouilloux, N Goué, C Barnett, M Maroni, O Nahorna, D Clements, ... Galaxy Training Network, 2024 | 1 | 2024 |
| BRIDGE: an open platform for reproducible protein-ligand simulations and free energy of binding calculations T Senapathi, CB Barnett, KJ Naidoo Bio-protocol 10 (17), e3731-e3731, 2020 | 1 | 2020 |
