You are here

Publications

Author Title [ Type

] Year

Journal Article

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.

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.

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.

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.

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.

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.

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

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.

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.