Dr. Michaela Knapp-Mohammady

May 1985: General qualification for university entrance

1985-1993: Studies in physics at the University of Heidelberg, Germany, Faculty of Physics and Astronomies

1993: Diploma in Physics, Department of Applied Physics  at the University of Heidelberg in the Faculty of Physics and Astronomies

2006: Dr. sc. hum. degree with magna cum laude from the University of Heidelberg

1995-1998: Technical coworker at the Department of Molecular Biophysics in the lab of Prof. Sándor Suhai (German Cancer Research Center Heidelberg)

1998-2001: Research Assistent at the German Cancer Research Center Heidelberg.

2001-2006: PhD in the lab of Prof. Sándor Suhai (German Cancer Research Center Heidelberg)

2006-2010: Scientific coworker at the German Cancer Research Center in the Devision of Molecular Biophysics

since 2010 Scientific coworker at the German Cancer Research Center in the Devision of Functional Genome Analysis

2000/2001: Postgratuated Education in Medical Physics at the Academy for Advanced Training at the Universities of Heidelberg and Mannheim e.V.

2003-2009: Lecture for undergraduate and graduate students of Medical Informatics from the University of Heidelberg and the University of Applied Sciences of Heilbronn, Germany

M. Knapp-Mohammady und S. Suhai:
Theoretical and Computational Genome Research,
J. Cancer Res. and Clin. Oncology 122, 698-701 (1996)

M. Knapp-Mohammady, K. J. Jalkanen, F. Nardi, R. C. Wade und S. Suhai:
L-alanyl-L-alanine in the zwitterionic state: structures determined in the presence of explicit water molecules and with continuum models using density functional theory,
Chem. Phys. 240, 63-77 (1999)

M. Elstner, K. J. Jalkanen, M. Knapp-Mohammady, Th. Frauenheim und S. Suhai:
DFT studies on helix formation in N-acetyl-(L-alanyl)n-N’-methylamide for n = 1 - 20,
Chem. Phys. 256, 15-27 (2000)

M. Knapp-Mohammady und S. Suhai:
Proteine: Struktur, Dynamik, Funktion
In ”Medizinische Physik”, J. Bille und W. Schlegel, Springer Verlag, Berlin, Heidelberg, New York, ISBN 3-540-65253-1, 235-256 (1999)

M. Elstner, K. Jalkanen, M. Knapp-Mohammady, Th. Frauenheim und S. Suhai:
Energetics and structure of glycine and alanine based model peptides: Approximated SCC-DFTB, AM1 and PM3 methods in comparison with DFT, HF and MP2 calculations,
Chem. Phys. 263, 203-219 (2001)

M. Knapp-Mohammady:
Modellierung biologischer Prozesse
In "Handbuch der Medizinischen Informatik", Th. Lehmann, E. Meyer zu Bexten, Carl Hanser Verlag, München, ISBN 3-446-21589-1 (2001)

K. J. Jalkanen, R. Nieminen, M. Knapp-Mohammady und S. Suhai:
Vibrational Analysis of Various Isotopomers of L-Alanyl-L-Alanine in Aqueous-Solution - Vibrational Absorption, Vibrational Circular-Dichroism, Raman, and Raman Optical-Activity Spectra
Int. J. Quant. Chem. 92, 239-259 (2003)

A. Bende, M. Knapp-Mohammady, S. Suhai:
BSSE-Free Description of Intermolecular Force Constants in Hydrogen Fluoride and Water Dimers
Int. J. Quant. Chem. 92, 152-159 (2003)

P. Kolandaivel, M. Knapp-Mohammady and S. Suhai:
Studies on Structure and Conformational Stability of Free Canonical 2'-Deoxy-ribonucleosides: Approximate SCC-DFTB and LMP2 Methods
Int. J. Quant. Chem. 99, 28-38 (2004)

I. Mayer, M. Knapp-Mohammady and S. Suhai:
Bond Orders and Energy Components in Polymers
Chemical Physics Letters 389, 34-38 (2004).

A. Kumar, M. Knapp-Mohammady, P.C. Mishra and Sándor Suhai:
A Theoretical Study of Structures and Electron Affinities of Radical Anions of Guanine-Cytosine, Adenine-Thymine and Hypoxanthine-Cytosine Base-Pairs
J. Comput. Chem. 25, 1047-1059 (2004)

K. J. Jalkanen, V. Würtz-Jürgensen, A. Claussen, A. Rahim and G. M. Jensen, R. C. Wade F. Nardi, C. Jung, I. M. Degtyarenko, R. M. Nieminen, F. Herrmann, M. Knapp-Mohammady, T.A. Niehaus, K. Frimand and S. Suhai:
Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: a combined theoretical and experimental approach
Int. J. Quant. Chem. 106:5, 1160-1198 (2006)

K. J. Jalkanen and Julian D. Gale, P. R. Lassen, L. Hemmingsen, A. Rodarte, I. M. Degtyarenko and R.M. Nieminen, S. Brøgger Christensen, M. Knapp-Mohammady and S. Suhai:
A configurational and conformational study of Aframodial and its diasteriomers via experimental and theoretical VA and VCD spectroscopies
Springer Berlin/Heidelberg 119:1-3, 177-190 (2008)

M. Knapp-Mohammady, N. H. March, and S. Suhai:
Geometry and ground-state electronic structure of two neutral ruthenium metal complexes of potential relevance to metal-based drugs for cancer control
Physics Letters A 372, 1881-1884 (2008)

N. H. March, M. Knapp-Mohammady, C. Van Alsenoy, and S. Suhai:
Exchange energy density and exchange potential via a Hartree-Fock plus MP2 study of the electron liquid in the ground-state conformer of glycine
Physics and Chemistry of Liquids 46, 242 - 254 (2008)

M. Knapp-Mohammady, A. Young, B. Paizs and A. Harrison:
Fragmentation of Doubly-Protonated Pro-His-Xaa Tripeptides: Formation of b2²+ Ions
Journal of the American Society of Mass Spectrometry 20, 2135-2143 (2009)

M. Knapp-Mohammady and N. H. March:
Quantum-chemical study of the potential anti-cancer drug Ru-NAMI-A in complex with estrogen and the simulated VA and VCD spectra of estrogen, the Ru-NAMI-A drug, and possible/proposed estrogen-Ru-NAMI-A complexes
Springer Berlin/Heidelberg, Theoretical Chemistry Accounts 125:1-3 (2010)

K. J. Jalkanen, M. Knapp-Mohammady, A. Wagenblatt, K.-H. Glatting, A. Retzmann, M. Kieninger, F. Herrmann, Y. Aoki and Harald zur Hausen:
A Festschrift in Honor of Sándor Suhai’s 65th Birthday
Springer Berlin/Heidelberg, Theoretical Chemistry Accounts 125:101-105 (2010)

B. J. Bythell, M. Knapp-Mohammady, B. Paizs and A. G. Harrison:
Effect of the His Residue on the cyclization of b ions
Journal of the American Society for Mass Spectrometry (in the Wysocki-Gaskell Special Issue on the Mobile Proton Model) 21:1352-1363 (2010)

N. H. March and M. Knapp-Mohammady:
The inhomogeneous electron liquid in some bioinorganic assemblies studied by density functional methods
Physics and Chemistry of Liquids 49:259-269 (2011)
doi: 10.1080/00319104.2010.509704

N. H. March and M. Knapp-Mohammady:
Aqueous microdroplet encapsulation of normal or cancerous single cells
Physics and Chemistry of Liquids 49:409-413 (2011)

A.-N. Bondar, M. Knapp-Mohammady, S. Suhai, S. Fischer, and J. C. Smith:
The ground-state properties of the retinal revisited: quantum mechanical and classical mechanical computations of retinal proteins
Springer Berlin/Heidelberg, Theoretical Chemistry Accounts, Imamura Festschrift issue, 130, 1169-1183 (2011)
doi: 10.1007/s00214-011-1054-1

N. H. March and M. Knapp-Mohammady:
Molecular vs tissue liquids: an atomic length?
Physics and Chemistry of Liquids, 49:829 – 833 (2011) 
 
M. Knapp-Mohammady and N. H. March:
Can liquid supercooling and glassy-like structure be invoked to interpret collective cell behaviour in the human body?
Physics and Chemistry of Liquids, 50 (2012)
in press

N. H. March and M. Knapp-Mohammady:
The inhomogeneous electron liquid in the ligand estradiol compared and contrasted with that in estrone
Physics and Chemistry of Liquids 50 (2012)
doi: 10.1080/00319104.2011.604780
in press

M. Knapp-Mohammady and N. H. March:
Can liquid supercooling and glassy-like structure be invoked to interpret collective cell behaviour in the human body?
Physics and Chemistry of Liquids (2012)
in press

K. J. Jalkanen, M. Knapp-Mohammady, S. Suhai, F. Nardi, R. C. Wade, R. M. Nieminen, J. Bohr, H. G. Bohr, T. A. Niehaus, T. Frauenheim, A. L. Rohl, J. D. Gale:
A Conformational Analysis of L-alanyl-L-alanine in Aqueous Solution: A combined experimental and theoretical approach using vibrational absorption (VA), vibrational circular dichroism (VCD), Raman and Raman optical activity (ROA) spectroscopy
in preparation (2012)

K. J. Jalkanen,  M. Knapp-Mohammady et al.:
A combined experimental and theoretical analysis of the structures, energetic, and vibrational and electonic spectra of N-acetyl L-histidine N´-methylamide in aqueous solution
Current Physical Chemisty, (2012)
In preparation

J. H. Gross, M. Knapp-Mohammady, A. G. Harrison, B. Paizs:
On the Gas-Phase H/D Exchange Reactions of a4 and b4 Ions of Peptides with Deuterated Methanol   
In preparation (2012)