Publications

Publications of Prof. Dr. Petra Imhof

2024

2023

2022

2021

2020

2019

2018

2017

2016

2015

2014

2013

2012

2011

2010

2009

 

 

 

 

[48] Bagherpoor Helabad, M., Volkenandt, S., and Imhof, P. Molecular Dynamics Simulations of a Chimeric Androgen Receptor Protein (SPARKI) Confirm the Importance of the Dimerization Domain on DNA Binding Specificity Frontiers in Molecular Bioscience 7 (2020) 4

[44] Kanaan, N. and Imhof, P. Interactions of the DNA Repair Enzyme Human Thymine DNA Glycosylase with cognate and non-cognate DNA Biochemistry 57 (2018) 5654–5665

[42] Ghane, T., Gorriz, R.F., Wrzalek, S., Volkenandt, S., Delatieh, F. Reidelbach, M., and Imhof, P. Hydrogen-Bonded Network and Water Dynamics in the D-channel of Cytochrome c Oxidase The Journal of Membrane Biology 251 (2018), 299-314

[41] Batebi, H., Dragelj, J. and Imhof, P. Role of AP-endonuclease (Ape1) active site residues in stabilization of the reactant enzyme-DNA comples Proteins:Structure, Function, and Bioinformatics 86 (2018) 439-453

[25] Parks, J. M., Imhof, P. and Smith, J. C. Modelling Enzyme Catalysis by Computer Simulations Istvan T. Horvath (ed.), Encyclopedia of Catalysis, John Wiley & Sons Ltd.

[21] Zahran, M., Imhof, P., and Smith, J. C. Sequence specific DNA recognition by EcoRV in Hansmann, U. H., Meinke, J. H., Mohanty, S., Nadler, W., and Zimmermann, O. (eds.), From Computational Biophysics to Systems Biology 2008 (CBSB08), Jülich, vol. 40, (2008) pp. 417–420, Proceedings, NIC Series Juelich

[20] Imhof, P., Noé, F., Fischer, S., and Smith, J. C. AM1/d parameters for magnesium in metalloenzymes J. Chem. Theory Comput., 2 (2006) 1050–1056

[19] Jagoda, M., Warzeska, S., Pritzkow, H., Wadepohl, H., Imhof, P., Smith, J. C., and Krämer, R. Catalytic transesterification of dialkyl phosphates by a bioinspired dicopper(II) macrocyclic complex J. Am. Chem. Soc, 127 (2005) 15061–15070

[18] Imhof, P., Fischer, S., Krämer, R., and Smith, J. C. Density functional theory analysis of dimethylphosphate hydrolysis: effect of solvation and nucleophile variation J. Mol. Struct. (Theochem), 713 (2005) 1–5

[17] Imhof, P., Krügler, D., Brause, R., and Kleinermanns, K. Geometry change of simple aromatics upon electronic excitation obtained from Franck-Condon fits of dispersed fluorescence spectra J. Chem. Phys., 121 (2004) 2598–2610

[16] Bühl, M., Schurhammer, R., and Imhof, P. Peroxovanadate imidazole complexes as catalysts for olefin epoxidation: Density functional study of dynamics, 51V NMR chemical shifts, and mechanism J. Am. Chem. Soc., 126 (2004) 3310–3320

[15] Bühl, M., Imhof, P., and Repisky, M. Rovibrational corrections to transition metal NMR shielding constants Chem Phys Chem, 5 (2004) 410–414

[14] Spangenberg, D., Imhof, P., and Kleinermanns, K. The S1 state geometry of phenol determined by simultaneous Franck Condon and rotational constants fits Phys. Chem. Chem. Phys., 5 (2003) 2505–2514

[13] Imhof, P., Brause, R., and Kleinermanns, K. Determination of ground state vibrational frequencies of jet-cooled resorcinol by means of dispersed fluorescence spectroscopy and ab Initio calculations J. Mol. Spec., 201 (2002) 65–70

[12] Imhof, P. and Kleinermanns, K. Dispersed fluorescence spectroscopy of pchlorophenol Phys. Chem. Chem. Phys., 4 (2002) 264–170

[11] Nir, E., Janzen, C., Imhof, P., Kleinermanns, K., and de Vries, M. S. Pairing of the nucleobases guanine and cytosine in the gas phase studied by IR–UV doubleresonance spectroscopy and ab initio calculations Phys. Chem. Chem. Phys., 4 (2002) 732–739

[10] Nir, E., Janzen, C., Imhof, P., Kleinermanns, K., and de Vries, M. S. Pairing of the nucleobase guanine studied by IR–UV double-resonance spectroscopy and ab initio calculations Phys. Chem. Chem. Phys., 4 (2002) 740–750.

[9] Nir, E., Janzen, C., Imhof, P., Kleinermanns, K., and de Vries, M. S. Guanine tautomerism revealed by UV–UV and IR–UV hole burning spectroscopy J. Chem. Phys., 115 (2001) 4604–4611

[8] Imhof, P. and Kleinermanns, K. Dispersed fluorescence spectra and ab initio calculations of o-Cyanophenol J. Phys. Chem. A, 105 (2001) 8922–8925

[7] Imhof, P. and Kleinermanns, K. Dispersed fluorescence spectra of chlorobenzene Chem. Phys., 270 (2001) 227–236

[6] Roth, W., Imhof, P., and Kleinermanns, K. Laser induced dispersed fluorescence spectroscopy and ab initio calculations of p-cyanophenol Phys. Chem. Chem. Phys., 3 (2001) 1806

[5] Nir, E., Imhof, P., Kleinermanns, K., and deVries, M. S. REMPI spectroscopy of laser desorbed guanosines J. Am. Chem. Soc., 122 (2000) 8091–809

[4] Roth, W., Imhof, P., Gerhards, M., Schumm, S., and Kleinermanns, K. Reassignment of ground and first excited state vibrations in phenol Chem. Phys., 252 (2000) 247–256

[3] Spangenberg, D., Imhof, P., Roth, W., Janzen, C., and Kleinermanns, K. Phenol-(ethanol)1 isomers studied by double-resonance spectroscopy and ab initio calculations J. Phys. Chem.A, 103 (1999) 5918–5924

[2] Imhof, P., Roth, W., Janzen, C., Spangenberg, D., and Kleinermanns, K. Hydrogen-bonded phenol-acid clusters studied by vibrational resolved laser spectroscopy and ab initio calculations – I. Formic acid Chem. Phys., 242 (1999) 141–151

[1] Imhof, P., Roth, W., Janzen, C., Spangenberg, D., and Kleinermanns, K. Hydrogen-bonded phenol-acid clusters studied by vibrational resolved laser spectroscopy and ab initio calculations – II. Acetic acid Chem. Phys., 242 (1999) 153–159