K. Sadeghian

发表

Geometrical frustration of an argon monolayer adsorbed on the MgO (100) surface: An accurate periodic ab initio study

M. Schütz, L. Maschio, D. Usvyat, 2012 .

Theoretical investigations of the hydrogen bond in a tetraamido/diamino quaternized macrocycle

C. Ochsenfeld, K. Sadeghian, Phillip Johannes Taenzler, 2018, Molecular Physics.

A Dynamic Equilibrium of Three Hydrogen-Bond Conformers Explains the NMR Spectrum of the Active Site of Photoactive Yellow Protein.

C. Ochsenfeld, K. Sadeghian, Phillip Johannes Taenzler, 2016, Journal of chemical theory and computation.

Intermolecular interactions in photodamaged DNA from density functional theory symmetry-adapted perturbation theory.

M. Schütz, M. Bocola, K. Sadeghian, 2011, Chemphyschem : a European journal of chemical physics and physical chemistry.

Why BLUF photoreceptors with roseoflavin cofactors lose their biological functionality.

M. Schütz, K. Sadeghian, T. Merz, 2011, Physical chemistry chemical physics : PCCP.

A QM/MM study on the fast photocycle of blue light using flavin photoreceptors in their light-adapted/active form.

Marco Bocola, Martin Schütz, M. Schütz, 2010, Physical chemistry chemical physics : PCCP.

A conclusive mechanism of the photoinduced reaction cascade in blue light using flavin photoreceptors.

Marco Bocola, Martin Schütz, M. Schütz, 2008, Journal of the American Chemical Society.

C-H···O Hydrogen Bonding. The Prototypical Methane-Formaldehyde System: A Critical Assessment.

Kevin B. Moore, H. Schaefer, C. Ochsenfeld, 2017, Journal of chemical theory and computation.

Deamination, oxidation, and C-C bond cleavage reactivity of 5-hydroxymethylcytosine, 5-formylcytosine, and 5-carboxycytosine.

K. Wanner, G. Höfner, T. Carell, 2013, Journal of the American Chemical Society.

Unraveling the Base Excision Repair Mechanism of Human DNA Glycosylase.

Christian Ochsenfeld, C. Ochsenfeld, K. Sadeghian, 2015, Journal of the American Chemical Society.

Theoretical study on the repair mechanism of the (6-4) photolesion by the (6-4) photolyase.

M. Schütz, M. Bocola, K. Sadeghian, 2010, Journal of the American Chemical Society.

Ribose-protonated DNA base excision repair: a combined theoretical and experimental study.

S. Schneider, T. Carell, C. Ochsenfeld, 2014, Angewandte Chemie.

A Base-Independent Repair Mechanism for DNA Glycosylase—No Discrimination Within the Active Site

C. Ochsenfeld, K. Sadeghian, Iris D. Blank, 2015, Scientific Reports.

Effect of including torsional parameters for histidine-metal interactions in classical force fields for metalloproteins.

C. Ochsenfeld, D. Sundholm, K. Sadeghian, 2014, The journal of physical chemistry. B.

Quantum Chemical Investigations on Sensory Photoreceptors in Natural and Artificial Systems

K. Sadeghian, 2009 .

Deamination, oxidation, and C-C bond cleavage reactivity of 5-hydroxymethylcytosine, 5-formylcytosine, and 5-carboxycytosine.

K. Wanner, G. Höfner, T. Carell, 2013, Journal of the American Chemical Society.

On the photophysics of artificial blue-light photoreceptors: an ab initio study on a flavin-based dye dyad at the level of coupled-cluster response theory.

M. Schütz, K. Sadeghian, 2007, Journal of the American Chemical Society.