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 128, pp. 3924 - 3925 (2006)

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 27, pp. 1324 - 1337 (2006)

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 109 (3), pp. 1268 - 1280 (2005)

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 127 (39), pp. 13611 - 13621 (2005)

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 105 (6), pp. 2279 - 2328 (2005)

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 24, p. 18817 - 18817 (2018)