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

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)

since 2006 Scientific coworker

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

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 46:3, 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 125:1 (2010)

Benjamin J. Bythell, Michaela Knapp-Mohammady, Béla Paizs and Alex 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(8):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: 02, 259–269 (2011)

N. H. March and M. Knapp-Mohammady:
Aqueous microdroplet encapsulation of normal or cancerous single cells
Physics and Chemistry of Liquids 49: 03, 409–413 (2011)

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
Springer Berlin/Heidelberg, Theoretical Chemistry Accounts (2011)

Ana-Nicoleta Bondar, Michaela Knapp-Mohammady, Sándor Suhai, Stefan Fischer, and Jeremy 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 (2011) in print

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 (2011) in print 

N. H. March and M. Knapp-Mohammady:
Molecular vs tissue liquids: an atomic length?
Physics and Chemistry of Liquids, 49 (06), 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 (2011)