Fethiye Aylin Konuklar, Ph.D                                       

Assistant Professor

Istanbul Technical University
Informatics Institute
Science & Technology Building, 2nd Floor, Room 216
Maslak, 34469, Sariyer
Istanbul / TURKEY
Tel: +90 (212) 285 6810
Fax: +90 (212) 285 7073
E-Mail: akonuklar@be.itu.edu.tr

Vitae:

• BS in Chemistry, Boğazici University, Istanbul, 1995.
• MS in Chemistry, Boğazici University, Istanbul,  1997.

            Thesis Subject:’Conformational Analysis of Blood Group Oligosaccharides.’

• PhD in Chemistry, Boğazici University, Istanbul, 2002

            Thesis Subject: ‘A Theoretical Approach to Wear and Tear Mechanism in Triosephosphate Isomerase`

• Since September 2004, ITU Informatics Institute, Istanbul

Research Interests:

    Computational Chemistry

• Modeling reaction mechanisms
• Modeling & simulation of macromolecular systems (biopolymers)
• Metal-biomolecules interactions
• Hybrid methods (QM/MM Methodology)

 

Publications:

• 2000    H. Reşat, F. A. Sungur, M. Baginski, V. Aviyente
              "Conformational Properties of Amphotericin B amide derivative – impact on selective toxicity"
              Journal of Computer Aided Molecular Design, Vol. 14, pp. 689-703.

• 2001   Konuklar, F. A; Aviyente, V.; Sen, T.Z; Bahar, I.
            "Modeling the Deamidation Reaction of Asparagine Residues via Succinimide Intermediates"
             Journal of Molecular Modeling, Vol.7, pp. 147-160.

• 2002    Konuklar, F. A; Aviyente, V.; M. F. Ruiz-Lopez
             "A Theoretical Study on Modeling the Neutral and Alkaline Hydrolysis of  Isoaspartate"   
             J. Phys. Chem. A, Vol. 106, No. 46, pp. 11205-11214.

   

• 2003   Konuklar, F. A; Aviyente, V.;

            "Theoretical Analysis of Hydrolysis Reaction in Succinimide: Formation of Aspartate"

             Org. Biomol. Chem., Vol.1, No.13, pp. 2290-2297.

   

• 2004    Konuklar, F. A.; Aviyente, V.; Monard, G.; M. F. Ruiz-Lopez

             "Relationship Between the Catalytic Mechanism and Deamidation Process of Triosephosphate Isomerase (TIM) : A QM/MM

              Theoretical Study"

              J. Phys. Chem. B;  Vol.108(12) pp 3925 – 3934.

   

• 2004   Aydeniz, Y., Konuklar, F. A., Aviyente, V. A, Oğuz, F. S., Doğan, I., Klein R.

            "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, 2426 - 2436. 

                                   

• 2006     Konuklar, F. A., Aviyente, V. A., Haliloğlu, T.

               "Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model"

                Proteins: Structure, Function, and Bioinformatics, Vol.62(3) , 715-727.

  Courses:

• Introduction to Scientific and Engineering Computing (BIL108E) 
• Introduction to Mathematical Methods in CSE (HBM 502E)
• Advanced Molecular Modelling (HBM 526E)
• General Chemistry(KIM101E)
• Special Topics in CSE(HBM 597/697)

DOSYA