| 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 | 75 | 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 | 48 | 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 | 44 | 2011 |
| 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 | 41 | 2010 |
| 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 | 41 | 2009 |
| 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), 184110, 2013 | 9 | 2013 |
| The Glycome Analytics Platform an integrative framework for glycobioinformatics CB Barnett, KF Aoki-Kinoshita, KJ Naidoo Bioinformatics 32 (19), 3005-3011, 2016 | 5 | 2016 |
| 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), 248, 2019 | 4 | 2019 |
| Calculating Ring Pucker Free Energy Surfaces From Reaction Coordinate Forces CB Barnett, KJ Naidoo AIP Conference Proceedings 1102 (1), 214-218, 2009 | 4 | 2009 |
| 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 | 3 | 2013 |
| Biomolecular Reaction & Interaction Dynamics Global Environment (BRIDGE). T Senapathi, S Bray, CB Barnett, B Grüning, KJ Naidoo Bioinformatics (Oxford, England), 2019 | | 2019 |
| conformations [version 1; referees: 1 approved, 1 approved with C Barnett, K Naidoo | | 2017 |
| conformations [version 1; referees: 1 approved] C Barnett, K Naidoo | | 2017 |
| Tessellate & Montage: Molecular analytics of cyclic conformations C Barnett, K Naidoo F1000Research 6, 2017 | | 2017 |
| Developing methods to construct ring pucker free energy hypersurfaces applied to the analysis of glycosidase enzyme catalytic mechanisms CB Barnett University of Cape Town, 2010 | | 2010 |
| Developing a Reliable Semi-Empirical QM/MD Treatment of Carbohydrates for investigating Multidimensional Reaction Surfaces KJ Naidoo, C Barnett The International Conference on Theory and Applications of Computational …, 2008 | | 2008 |
| Electronic and solvent effects on monosaccharide conformations CB Barnett University of Cape Town, 2007 | | 2007 |
