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Kevin Naidoo

Research Profile

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Publications

TOP 3
Pegah Khalili; Christopher B Barnett; Kevin J Naidoo
Interpreting medium ring canonical conformers by a triangular plane tessellation of the macrocycle.
Ian L Rogers; David W Gammon; Kevin J Naidoo
Conformational preferences of plumbagin with phenyl-1-thioglucoside conjugates in solution and bound to MshB determined by aromatic association.
David Kuter; Kevin J Naidoo; Gerhard A Venter; Timothy J Egan
Experimental and time-dependent density functional theory characterization of the UV-visible spectra of monomeric and μ-oxo dimeric ferriprotoporphyrin IX.

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All Publications

2013: Pegah Khalili; Christopher B Barnett; Kevin J Naidoo
Interpreting medium ring canonical conformers by a triangular plane tessellation of the macrocycle.
The Journal of chemical physics 2013;138(18):184110.
2013: Ian L Rogers; David W Gammon; Kevin J Naidoo
Conformational preferences of plumbagin with phenyl-1-thioglucoside conjugates in solution and bound to MshB determined by aromatic association.
Carbohydrate research 2013;371():52-60.
2012: David Kuter; Kevin J Naidoo; Gerhard A Venter; Timothy J Egan
Experimental and time-dependent density functional theory characterization of the UV-visible spectra of monomeric and μ-oxo dimeric ferriprotoporphyrin IX.
Inorganic chemistry 2012;51(19):10233-50.
2012: Dirk A Lamprecht; Ndivhuwo O Muneri; Kevin J Naidoo; Erick Strauss; Hayden Eastwood; Anwar Jardine
An enzyme-initiated Smiles rearrangement enables the development of an assay of MshB, the GlcNAc-Ins deacetylase of mycothiol biosynthesis.
Organic & biomolecular chemistry 2012;10(27):5278-88.
2012: Kevin J Naidoo
Multidimensional free energy volumes offer unique insights into reaction mechanisms, molecular conformation and association.
Physical chemistry chemical physics : PCCP 2012;14(25):9026-36.
2012: M Riedaa Gamieldien; Johan Strümpfer; Kevin J Naidoo
Hydration-determined orientational preferences in aromatic association from benzene dimer free energy volumes.
The journal of physical chemistry. B 2012;116(1):324-31.
2011: Christopher B Barnett; Karl A Wilkinson; Kevin J Naidoo
Molecular details from computational reaction dynamics for the cellobiohydrolase I glycosylation reaction.
Journal of the American Chemical Society 2011;133(48):19474-82.
2011: Krisztina Feher; Katalin E Kövér; Richard P Matthews; Kevin J Naidoo; László Szilágyi
Conformational preferences in diglycosyl disulfides: NMR and molecular modeling studies.
Carbohydrate research 2011;346(16):2612-21.
2011: Annalisa Boscaino; Kevin J Naidoo
The extent of conformational rigidity determines hydration in nonaromatic hexacyclic systems.
The journal of physical chemistry. B 2011;115(11):2608-16.
2011: Richard P Matthews; Gerhard A Venter; Kevin J Naidoo
Using solvent binding and dielectric friction to interpret the hydration behavior of complex anions.
The journal of physical chemistry. B 2011;115(5):1045-55.
2010: Christopher B Barnett; Kevin J Naidoo
Ring puckering: a metric for evaluating the accuracy of AM1, PM3, PM3CARB-1, and SCC-DFTB carbohydrate QM/MM simulations.
The journal of physical chemistry. B 2010;114(51):17142-54.
2010: Christopher B Barnett; Karl A Wilkinson; Kevin J Naidoo
Pyranose ring transition state is derived from cellobiohydrolase I induced conformational stability and glycosidic bond polarization.
Journal of the American Chemical Society 2010;132(37):12800-3.
2010: Richard P Matthews; Kevin J Naidoo
Experimentally consistent ion association predicted for metal solutions from free energy simulations.
The journal of physical chemistry. B 2010;114(21):7286-93.
2010: M Riedaa Gamieldien; Itziar Maestre; Carlos Jaime; Kevin J Naidoo
Optimal configurations of "capped" beta-cyclodextrin dimers in water maximise hydrophobic association.
Chemphyschem : a European journal of chemical physics and physical chemistry 2010;11(2):452-9.
2010: Johan Strümpfer; Kevin J Naidoo
Computing free energy hypersurfaces for anisotropic intermolecular associations.
Journal of computational chemistry 2010;31(2):308-16.
2008: Roger Hunter; Yassir Younis; Clare I Muhanji; Tanith-Lea Curtin; Kevin J Naidoo; Melissa Petersen; Christopher M Bailey; Aravind Basavapathruni; Karen S Anderson
C-2-aryl O-substituted HI-236 derivatives as non-nucleoside HIV-1 reverse-transcriptase inhibitors.
Bioorganic & medicinal chemistry 2008;16(24):10270-80.
2008: Christopher B Barnett; Kevin J Naidoo
Stereoelectronic and solvation effects determine hydroxymethyl conformational preferences in monosaccharides.
The journal of physical chemistry. B 2008;112(48):15450-9.
2008: Kevin J Naidoo; M Riedaa Gamieldien; Jeff Yu-Jen Chen; Göran Widmalm; Arnold Maliniak
Glucose orientation and dynamics in alpha-, beta-, and gamma-cyclodextrins.
The journal of physical chemistry. B 2008;112(47):15151-7.
2008: Johan Thaning; Baltzar Stevensson; Jennie Ostervall; Kevin J Naidoo; Göran Widmalm; Arnold Maliniak
NMR studies of molecular conformations in alpha-cyclodextrin.
The journal of physical chemistry. B 2008;112(29):8434-6.
2006: Timothy J Egan; Jeff Y-J Chen; Katherine A De Villiers; Tebogo E Mabotha; Kevin J Naidoo; Kanyile K Ncokazi; Steven J Langford; Don McNaughton; Shveta Pandiancherri; Bayden Wood
Haemozoin (beta-haematin) biomineralization occurs by self-assembly near the lipid/water interface.
FEBS letters 2006;580(21):5105-10.
2005: Michelle Kuttel; Kevin J Naidoo
Free energy surfaces for the alpha(1 --> 4)-glycosidic linkage: implications for polysaccharide solution structure and dynamics.
The journal of physical chemistry. B 2005;109(15):7468-74.
2005: Michelle Kuttel; Kevin J Naidoo
Ramachandran free-energy surfaces for disaccharides: trehalose, a case study.
Carbohydrate research 2005;340(5):875-9.
2005: Michelle Kuttel; Kevin J Naidoo
Glycosidic linkage rotations determine amylose stretching mechanism.
Journal of the American Chemical Society 2005;127(1):12-3.
2003: Ramkumar Rajamani; Kevin J Naidoo; Jiali Gao
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution.
Journal of computational chemistry 2003;24(14):1775-81.
2003: Kevin J Naidoo; Anton S Lopis; Arjan N Westra; David J Robinson; Klaus R Koch
Contact ion pair between Na+ and PtCl(6)(2-) favored in methanol.
Journal of the American Chemical Society 2003;125(44):13330-1.
2002: Michelle Kuttel; John W Brady; Kevin J Naidoo
Carbohydrate solution simulations: producing a force field with experimentally consistent primary alcohol rotational frequencies and populations.
Journal of computational chemistry 2002;23(13):1236-43.
2002: Kevin J Naidoo; Günter Klatt; Klaus R Koch; David J Robinson
Geometric hydration shells for anionic platinum group metal chloro complexes.
Inorganic chemistry 2002;41(7):1845-9.
2001: A Lienke; G Klatt; David J Robinson; Klaus R Koch; Kevin J Naidoo
Modeling platinum group metal complexes in aqueous solution.
Inorganic chemistry 2001;40(10):2352-7.
1997: Kevin J Naidoo; D Denysyk; John W Brady
Molecular dynamics simulations of the N-linked oligosaccharide of the lectin from Erythrina corallodendron.
Protein engineering 1997;10(11):1249-61.