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PD Dr. Jürgen Schlitter
Biophysik
Ruhr-Universität Bochum, ND 04 Nord
44780
Bochum
Germany
Tel.
+49 234 32-25753
Juergen.Schlitter@rub.de
Selected
Publications
Schlitter,
J. The Second Law of Thermodynamics as
a Force Law. Entropy 2018, 20, 234; doi:10.3390/e20040234
Schlitter, J. The
increase of entropy upon release of a constraint in classical systems. Mol.
Phys. 104: 2829-2834, 2006
Schlitter, J. Estimation
of absolute and relative entropies
for macromolecules using the covariance matrix. Chem.Phys.Lett.
215:617-621, 1993.
Massarczyk,
M., Rudack, T., Schlitter, J., Kuhne, J., Kötting, C. and Gerwert, K. Local Mode Analysis: Decoding IR Spectra
by Visualizing Molecular Details. J. Phys. Chem. B 2017, 121, 3483−3492, pubs.acs.org/doi/10.1021/acs.jpcb.6b09343
Massarczyk,
M., Schlitter, J., Kötting, C., Rudack, T. and Gerwert, K. Monitoring transient events in IR‐spectra
using Local Mode Analysis. 18 July 2018
doi.org/10.1002/prot.25536
Burisch,
C., Wildner, G.F. and Schlitter, J. Bioinformatic tools uncover Rubisco's C-terminal strand as hot-spot
for specificity-enhancing mutations. FEBS Letters
581: 741-748, 2007; doi:10.1016/j.febslet.2007.01.043
Wildner, G.F., Schlitter, J., Szczepaniak, A., and Bartoszewski,
R. Rubisco of a thermophyllic cyanobacterium -
Thermosynechococcus elongatus
in: Biotechnology and Bioengineering of CO2 fixation Rec. Res. Dev. Biotech. Bioeng., 73-88, 2002
Schlitter, J. and Wildner, G.F. Rubisco: Partnerwahl mit
(r)evolutionärem Trick RUBIN 2/01, 12-17, 2001
Schlitter, J and
Wildner, GF The kinetics of conformation change as a determinant of Rubisco's specificity. Photosynth.
Res., 67:7-13, 2000
Wildner FG, Schlitter J, Stuetzel T. Rubisco: Phylogenetic Analysis of the
C-terminal Sequence of rbcl. Plant Biology, 1:
656-64, 1999
Zhu, G., Jensen,
R.G., Bohnert, H.J., Wildner, G.F.,
and Schlitter, J. Dependence of catalysis and CO2/O2 specificity of Rubisco at different temperature on
the carboxy-terminus of the large subunit. Photosynt.Res., 57:71-79, 1998
Wildner, G.F., Schlitter, J., and Müller, M. Rubisco, an old challenge with new perspectives. J. Biosciences
51:263-76, 1996
Rudack, Xia, Schlitter, Kötting, and Gerwert. The Role of Magnesium for Geometry
and Charge in GTP Hydrolysis,Revealed
by Quantum Mechanics/Molecular Mechanics Simulations.PNAS 2012,109: 15295–15300, doi/10.1073/pnas.1204333109
Schlitter, J.
and Schlitter, M. New Raf kinase
inhibitor peptide useful in the preparation of medicament for the treatment of
tumor. Patent application DE102005027556A1. 2005-06-14.
te Heesen, H.,
Schlitter, A. M. and Schlitter, J. Empirical rules facilitate the search for binding
sites on protein surfaces. J. Mol. Graph. Mod. 25: 671-679, 2006;
doi:10.1016/j.jmgm.2006.05.005
Klähn, M., Schlitter,
J. and Gerwert, K. Theoretical
IR spectroscopy based on QM/MM calculations provides
changes in charge distribution, bond lengths and bond angles of the GTP ligand induced by the Ras-protein, Biophys. J., 88:3829-3844, 2005
Klähn, M., Mathias,
G., Kotting, C., Nonella,
M., Schlitter, J., Gerwert, K., and Tavan, P. IR spectra of phosphate ions in
solution: Prediction of a DFT/MM approach compared
with observations. J. Phys. Chem. A, 108: 6186-6194,
2004
Kandt, C., Gerwert, K., and Schlitter, J. Water
Dynamics Simulation as a Tool for Probing Proton Transfer Pathways in a Heptahelical Membrane Protein, Proteins,
58:528-532, 2005
Kandt, C.,
Schlitter, J., and Gerwert, K. Dynamics of Water Molecules in the Bacteriorhodopsin Trimer in Explicit
Lipid/Water Environment. Biophys. J., 86: 705-717,
2004
Schlitter, J.
and Klähn, M. A new concise expression for the free energy of a reaction coordinate
J. Chem. Phys. 118 (5), 2057-60, 2003
Schlitter, J.
and Klähn, J. The free energy of a reaction coordinate at
multiple constraints: A concise formulation. J. Mol. Phys. 101, 3439-44, 2003
Swegat, W., Schlitter,
J., Krüger, P., and Wollmer,
A. MD Simulation of Protein-ligand Interaction: Formation and Dissociation of
an Insulin-phenol Complex. Biophys. J. 84: 1493- 1506, 2003
Berzborn, R.J. and
Schlitter, J. Does the F1 ATPase
subunit gamma turn in the wrong direction? FEBS
Letters 533, 1-8, 2002
Schlitter, J., Swegat, W. and Mülders, T.
Distance type reaction coordinates
for modeling activated processes. J. Mol. Mod, 7(6):171-177,
2001
Schlitter, J. Molekulardynamik-Simulation von
Makromolekülen. Nachr. Chemie,
48: 301-5, 2000
Wroblowski, B., Diaz, J.F., Schlitter, J., and Engelborghs,
Y. Modelling pathways of alpha-chymotrypsin
activation and deactivation. Prot. Engin., 10:1163-1174,
1997
Diaz, J.F., Wroblowski, B.,
Schlitter, J., and Engelborghs, Y. Calculation of
pathways for the conformational transition between the GDP and GTP bound states of the Ha-ras-p21 protein. Calculations with explicit solvent
simulations and comparison with calculations in vacuum. Proteins Structure
Function and Genetics 28; 434-51, 1997
Mülders, T., Krüger, P., Swegat, W., and
Schlitter, J. Free energy as the
potential of mean constraint force. J. Chem. Phys. 104:4869-70, 1996.
Jacoby, E., Krüger, P., Schlitter, J., Röper,
D. and Wollmer, A. Simulation of a complex protein
structural change: T<-->R transition in the insulin hexamer. Prot. Engin.
9:113-115, 1996.
Schlitter, J.,
Engels, M., and Krüger, P. Targeted molecular dynamics: A new approach for searching
pathways of conformational transitions. J.Mol.Graph.
12:84-89, 1994.
Schlitter, J.,
Engels, M., Krüger, P., Jacoby, E., and Wollmer, A. Targeted
MD simulation of conformational change - application to the T-R
transition in insulin. Mol.Simulation 10:291-308,
1993.
Engels, M.,
Jacoby, E., Krüger, P., Schlitter, J., and Wollmer, A. The R-T structural transition of insulin;
pathways suggested by targeted energy
minimization. Prot.Eng.
5:669-677, 1992.
2018-08-08
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