Следене
Jürgen Schlitter
Jürgen Schlitter
Потвърден имейл адрес: rub.de - Начална страница
Заглавие
Позовавания
Позовавания
Година
Estimation of absolute and relative entropies of macromolecules using the covariance matrix
J Schlitter
Chemical physics letters 215 (6), 617-621, 1993
6951993
Targeted molecular dynamics: a new approach for searching pathways of conformational transitions
J Schlitter, M Engels, P Krüger
Journal of molecular graphics 12 (2), 84-89, 1994
5711994
Targeted molecular dynamics simulation of conformational change-application to the T↔ R transition in insulin
J Schlitter, M Engels, P Krüger, E Jacoby, A Wollmer
Molecular Simulation 10 (2-6), 291-308, 1993
4951993
IR spectra of phosphate ions in aqueous solution: predictions of a DFT/MM approach compared with observations
M Klähn, G Mathias, C Kötting, M Nonella, J Schlitter, K Gerwert, P Tavan
The Journal of Physical Chemistry A 108 (29), 6186-6194, 2004
1862004
Dynamics of water molecules in the bacteriorhodopsin trimer in explicit lipid/water environment
C Kandt, J Schlitter, K Gerwert
Biophysical journal 86 (2), 705-717, 2004
972004
Free energy as the potential of mean constraint force
T Mülders, P Krüger, W Swegat, J Schlitter
The Journal of chemical physics 104 (12), 4869-4870, 1996
971996
Ras and GTPase-activating protein (GAP) drive GTP into a precatalytic state as revealed by combining FTIR and biomolecular simulations
T Rudack, F Xia, J Schlitter, C Kötting, K Gerwert
Proceedings of the National Academy of Sciences 109 (38), 15295-15300, 2012
932012
Calculation of pathways for the conformational transition between the GTP‐ and GDP‐bound states of the Ha‐ras‐p21 protein: Calculations with explicit solvent …
J Fernando Díaz, B Wroblowski, J Schlitter, Y Engelborghs
Proteins: Structure, Function, and Bioinformatics 28 (3), 434-451, 1997
791997
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
M Klähn, J Schlitter, K Gerwert
Biophysical journal 88 (6), 3829-3844, 2005
742005
MD simulation of protein-ligand interaction: formation and dissociation of an insulin-phenol complex
W Swegat, J Schlitter, P Krüger, A Wollmer
Biophysical Journal 84 (3), 1493-1506, 2003
692003
The role of magnesium for geometry and charge in GTP hydrolysis, revealed by quantum mechanics/molecular mechanics simulations
T Rudack, F Xia, J Schlitter, C Kötting, K Gerwert
Biophysical journal 103 (2), 293-302, 2012
672012
A new concise expression for the free energy of a reaction coordinate
J Schlitter, M Klähn
The Journal of chemical physics 118 (5), 2057-2060, 2003
582003
Dependence of catalysis and CO2/O2 specificity of Rubisco on the carboxy-terminus of the large subunit at different temperatures
G Zhu, RG Jensen, HJ Bohnert, GF Wildner, J Schlitter
Photosynthesis Research 57, 71-79, 1998
531998
A statistical mechanical treatment of fatty acyl chain order in phospholipid bilayers and correlation with experimental data. A. Theory
JP Meraldi, J Schlitter
Biochimica et Biophysica Acta (BBA)-Biomembranes 645 (2), 183-192, 1981
531981
A statistical mechanical treatment of fatty acyl chain order in phospholipid bilayers and correlation with experimental data. B. Dipalmitoyl-3-sn-phosphatidylcholine
JP Meraldi, J Schlitter
Biochimica et Biophysica Acta (BBA)-Biomembranes 645 (2), 193-210, 1981
521981
Role of the arginine finger in Ras· RasGAP revealed by QM/MM calculations
H te Heesen, K Gerwert, J Schlitter
FEBS letters 581 (29), 5677-5684, 2007
512007
Distance-type reaction coordinates for modelling activated processes
J Schlitter, W Swegat, T Mülders
Molecular modeling annual 7, 171-177, 2001
472001
Modelling pathways of alpha-chymotrypsin activation and deactivation.
B Wroblowski, JF Diaz, J Schlitter, Y Engelborghs
Protein engineering 10 (10), 1163-1174, 1997
451997
Probing irradiation induced DNA damage mechanisms using excited state Car-Parrinello molecular dynamics
PRL Markwick, NL Doltsinis, J Schlitter
The Journal of chemical physics 126 (4), 2007
432007
Estimation of protein–ligand unbinding kinetics using non-equilibrium targeted molecular dynamics simulations
S Wolf, M Amaral, M Lowinski, F Vallée, D Musil, J Güldenhaupt, ...
Journal of Chemical Information and Modeling 59 (12), 5135-5147, 2019
422019
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Статии 1–20