Publikationen von A. Altun

Zheng, J. J.; Altun, A.; Thiel, W. Common system setup for the entire catalytic cycle of cytochrome P450_cam in quantum mechanical/molecular mechanical studies. Journal of Computational Chemistry 2007, 28, 2147–2158.

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 Dezember 17, 2018, S 18817–18817.