Publications of A. Altun

Altun, A.; Guallar, V.; Friesner, R. A.; Shaik, S.; Thiel, W. The Effect of Heme Environment on the Hydrogen Abstraction Reaction of Camphor in P450_Cam Catalysis: A QM/MM Study. Journal of the American Chemical Society 2006, 128, 3924–3925.

Altun, A.; Shaik, S.; Thiel, W. Systematic QM/MM Investigation of Factors that Affect the Cytochrome P450_Cam-Catalyzed Hydrogen Abstraction of Camphor. Journal of Computational Chemistry 2006, 27, 1324–1337.

Altun, A.; Thiel, W. Combined Quantum Mechanical/Molecular Mechanical Study on the Pentacoordinated Ferric and Ferrous Cytochrome P450 _Cam Complexes. Journal of Physical Chemistry B 2005, 109, 1268–1280.

Derat, E.; Cohen, S.; Shaik, S.; Altun, A.; Thiel, W. Principal Active Species of Horseradish Peroxidase, Compound I: A Hybrid Quantum Mechanical/Molecular Mechanical Study. Journal of the American Chemical Society 2005, 127, 13611–13621.

Shaik, S.; Kumar, D.; de Visser, S. P.; Altun, A.; Thiel, W. Theoretical Perspective on the Structure and Mechanism of Cytochrome P450 Enzymes. Chemical Reviews 2005, 105, 2279–2328.

Ho, L. P.; Nasr, A.; Jones, P. G.; Altun, A.; Neese, F.; Bistoni, G.; Tamm, M. Cover Feature: London Dispersion Interactions in Pnictogen Cations [ECl₂]⁺ and [E=E]²⁺ (E=P, As, Sb) Supported by Anionic N‐Heterocyclic Carbenes (Chem. Eur. J. 71/2018). Chemistry – A European Journal. Wiley-VCH: Weinheim December 17, 2018, pp 18817–18817.