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Publications

Author Title Type [ Year

]

2000

H. Resat, Sungur, F. A., Baginski, M., Borowski, E., and Aviyente, V., “Conformational properties of amphotericin B amide derivatives--impact on selective toxicity.”, J Comput Aided Mol Des, vol. 14, no. 7, pp. 689-703, 2000.

2003

F. Aylin, Konuklar, S., and Aviyente, V., “Modelling the hydrolysis of succinimide: formation of aspartate and reversible isomerization of aspartic acid via succinimide.”, Org Biomol Chem, vol. 1, no. 13, pp. 2290-7, 2003.

2004

Y. Aydeniz, Oguz, F., Yaman, A., Konuklar, A. Sungur, Dogan, I., Aviyente, V., and Klein, R. A., “Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states.”, Org Biomol Chem, vol. 2, no. 17, pp. 2426-36, 2004.

2006

F. A. S. Konuklar, Aviyente, V., and Haliloğlu, T., “Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model.”, Proteins, vol. 62, no. 3, pp. 715-27, 2006.

2011

A. T. Durak, Gökcan, H., and Konuklar, F. A. S., “Theoretical studies on the inactivation mechanism of γ-aminobutyric acid aminotransferase.”, Org Biomol Chem, vol. 9, no. 14, pp. 5162-71, 2011.

2012

A. Yildirim, Konuklar, F. Aylin Sung, Catak, S., Van Speybroeck, V., Waroquier, M., Dogan, I., and Aviyente, V., “Solvent-catalyzed ring-chain-ring tautomerization in axially chiral compounds.”, Chemistry, vol. 18, no. 40, pp. 12725-32, 2012.

H. Gökcan and F Konuklar, A. Sungur, “Theoretical study on HF elimination and aromatization mechanisms: a case of pyridoxal 5' phosphate-dependent enzyme.”, J Org Chem, vol. 77, no. 13, pp. 5533-43, 2012.

2014

H. Gökcan and F Konuklar, A. Sungur, “Stereoelectronic explanations for the mechanistic details of transimination and HF elimination reactions.”, J Mol Graph Model, vol. 51, pp. 173-83, 2014.

2016

H. Gökcan, Monard, G., and F Konuklar, A. Sungur, “Molecular dynamics simulations of apo, holo, and inactivator bound GABA-at reveal the role of active site residues in PLP dependent enzymes.”, Proteins, vol. 84, no. 7, pp. 875-91, 2016.

2017

M. M. Tataroğlu and Sungur, F. A., “A computational insight into cyclopropenone activated dehydration reaction of alcohols.”, J Mol Graph Model, vol. 77, pp. 106-114, 2017.