Christopher B Barnett
TitleCited byYear
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
752010
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
482008
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
422011
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
412010
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
412009
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
92013
Self-reverting mutations partially correct the blood phenotype in a Diamond Blackfan anemia patient
P Venugopal, S Moore, DM Lawrence, AJ George, RD Hannan, SCE Bray, ...
haematologica 102 (12), e506, 2017
72017
The Glycome Analytics Platform an integrative framework for glycobioinformatics
CB Barnett, KF Aoki-Kinoshita, KJ Naidoo
Bioinformatics 32 (19), 3005-3011, 2016
52016
Calculating Ring Pucker Free Energy Surfaces From Reaction Coordinate Forces
CB Barnett, KJ Naidoo
AIP Conference Proceedings 1102 (1), 214-218, 2009
42009
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
32013
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
2019
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]
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
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Articles 1–17