Naidoo KJ - Search Results

1

Pyranose ring transition state is derived from cellobiohydrolase I induced conformational stability and glycosidic bond polarization.

Barnett CB, Wilkinson KA, Naidoo KJ. Barnett CB, et al. Among authors: naidoo kj. J Am Chem Soc. 2010 Sep 22;132(37):12800-3. doi: 10.1021/ja103766w. J Am Chem Soc. 2010. PMID: 20795726

2

Contact ion pair between Na+ and PtCl(6)(2-) favored in methanol.

Naidoo KJ, Lopis AS, Westra AN, Robinson DJ, Koch KR. Naidoo KJ, et al. J Am Chem Soc. 2003 Nov 5;125(44):13330-1. doi: 10.1021/ja035326x. J Am Chem Soc. 2003. PMID: 14583008

3

Glycosidic linkage rotations determine amylose stretching mechanism.

Kuttel M, Naidoo KJ. Kuttel M, et al. Among authors: naidoo kj. J Am Chem Soc. 2005 Jan 12;127(1):12-3. doi: 10.1021/ja047138s. J Am Chem Soc. 2005. PMID: 15631424

4

Free energy surfaces for the alpha(1 --> 4)-glycosidic linkage: implications for polysaccharide solution structure and dynamics.

Kuttel MM, Naidoo KJ. Kuttel MM, et al. Among authors: naidoo kj. J Phys Chem B. 2005 Apr 21;109(15):7468-74. doi: 10.1021/jp044756m. J Phys Chem B. 2005. PMID: 16851857

5

Stereoelectronic and solvation effects determine hydroxymethyl conformational preferences in monosaccharides.

Barnett CB, Naidoo KJ. Barnett CB, et al. Among authors: naidoo kj. J Phys Chem B. 2008 Dec 4;112(48):15450-9. doi: 10.1021/jp8067409. J Phys Chem B. 2008. PMID: 18989909

6

Ring puckering: a metric for evaluating the accuracy of AM1, PM3, PM3CARB-1, and SCC-DFTB carbohydrate QM/MM simulations.

Barnett CB, Naidoo KJ. Barnett CB, et al. Among authors: naidoo kj. J Phys Chem B. 2010 Dec 30;114(51):17142-54. doi: 10.1021/jp107620h. Epub 2010 Dec 7. J Phys Chem B. 2010. PMID: 21138284

7

Acceleration of the GAMESS-UK electronic structure package on graphical processing units.

Wilkinson KA, Sherwood P, Guest MF, Naidoo KJ. Wilkinson KA, et al. Among authors: naidoo kj. J Comput Chem. 2011 Jul 30;32(10):2313-8. doi: 10.1002/jcc.21815. Epub 2011 May 3. J Comput Chem. 2011. PMID: 21541963

8

Molecular details from computational reaction dynamics for the cellobiohydrolase I glycosylation reaction.

Barnett CB, Wilkinson KA, Naidoo KJ. Barnett CB, et al. Among authors: naidoo kj. J Am Chem Soc. 2011 Dec 7;133(48):19474-82. doi: 10.1021/ja206842j. Epub 2011 Nov 9. J Am Chem Soc. 2011. PMID: 22007863

9

PNP diminishes guanosine glycosidic bond strength through restrictive ring pucker as a precursor to phosphorylation.

Barnett CB, Naidoo KJ. Barnett CB, et al. Among authors: naidoo kj. J Phys Chem B. 2013 May 23;117(20):6019-26. doi: 10.1021/jp3109013. Epub 2013 May 10. J Phys Chem B. 2013. PMID: 23621450

10

Interpreting medium ring canonical conformers by a triangular plane tessellation of the macrocycle.

Khalili P, Barnett CB, Naidoo KJ. Khalili P, et al. Among authors: naidoo kj. J Chem Phys. 2013 May 14;138(18):184110. doi: 10.1063/1.4803698. J Chem Phys. 2013. PMID: 23676032

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