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| PUBLICATIONS |
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2011
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F. Xia, A. K. Bronowska, S. Cheng, F. Gräte
Base-catalyzed peptide hydrolysis is insensitive to mechanical stress.
The Journal of Physical Chemistry B. 115(33):10126-32 (2011). |
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F. Gräte
Strained Molecules: Insights from Force Distribution
Analysis.
Book chapter in "Modeling of Molecular Properties", Wiley-VCH, edited by P. Comba. 301~310 (2011). |
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S. Xiao, S. A. Edwards, F. Gräte.
A New Transferable Forcefield for Simulating the Mechanics of CaCO3 Crystals.
The Journal of Physical Chemistry C. Accepted (2011). |
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P.
Strnad, V. V. Usachov, C. Debes, F. Gräter, D. A. D. Parry, and B.M. Omary. Unique amino acid
signatures that are evolutionarily conserved distinguish simple-type,epidermal and hair keratins.
Journal of Cell Science. Accepted (2011). |
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F.
Berkemeier, M. Bertz, S. Xiao, N. Pinotsis, M. Wilmanns, F. Gräter,
M. Rief. Fast Folding α-Helices as
Reversible Strain Absorbers in the Muscle Protein Myomesin. Proc. Nat. Acad. Sci.
DOI:10.1073/pnas.1105734108 (2011)[pdf] |
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M.
Cetinkaya, S. Xiao and F. Gräter.
Effects of crystalline subunit size on silk fiber mechanics. Soft Matter.
DOI:10.1039/C1SM05470H (2011)[pdf] |
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W.
Stacklies, C. Seifert and F. Gräter.
Implementation of force distribution analysis for molecular dynamics
simulations. BMC
Bioinformatics 12:101 (2011). [pdf] |
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M.
Cetinkaya, S. Xiao, F. Gräter.
Bottom-up computational modeling of semi-crystalline fibers: From
atomistic to continuum scale.
Phys. Chem. Chem. Phys. (2011). [pdf] |
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F.
Xia, D. Thirumalai, F. Gräter.
Minimum energy compact structures in force-quench Polyubiquitin folding
are domain swapped. Proc.
Nat. Acad. Sci. 108(17), 6963–6968
(2011). [pdf] |
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M.
Zhou, X. Dong, C. Baldauf, H. Chen, Y. Zhou, T. A. Springer, X. Luo,
C. Zhong, F. Gräter and J. Ding. A
novel calcium-binding site of von Willebrand factor A2 domain regulates
its cleavage by ADAMTS13.
Blood. 117: 4623-4631 (2011). [pdf] |
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M.
Cetinkaya, S. Xiao, B. Markert, W. Stacklies, F. Gräter. Silk Fiber Mechanics from Multiscale Force
Distribution Analysis.
Biophysical Journal. 100(5), 1298–1305. (2011) [pdf] |
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S.
Xiao, W. Stacklies, C. Debes, F. Gräter.Force
distribution determines optimal length of β-sheet crystals for
mechanical robustness.
Soft Matter. 7, 1308-1311. (2011) [pdf] |
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2010
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M.
Geisler, S. Xiao, E. Puchner, F. Gräter, T. Hugel. Controlling the structure of proteins at
surfaces. J. Amer. Chem.
Soc. 132 (48), 17277–81. (2010) [pdf] |
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W.
Li, F. Gräter. Atomistic Evidence
of How Force Dynamically Regulates Thiol/Disulfide Exchange.
J. Amer. Chem. Soc. 132(47):16790-5. (2010) [pdf] |
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S.
Cheng, M. Cetinkaya, F. Gräter. How
sequence determines elasticity of disordered proteins.
Biophysical Journal. 99(12):3863-9. (2010) [pdf] |
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S.
Cheng, S. Edwards, Y. Jiang, F. Gräter.
Glycosylation enhances peptide hydrophobic collapse by impairing
solvation.
ChemPhysChem. 11 (11), 2367–2374. (2010) [pdf] |
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Y.
Leng, J. CHEN, B. Zhou, F. Gräter.
Rupture mechanism of aromatic systems from Graphite probed with
molecular dynamics simulations. Langmuir, 26(13),10791–10795.
(2010)[pdf]
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2009
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W.
Stacklies, F. Xia,
F. Gräter. Dynamic
Allostery in the Methionine Repressor revealed by force distribution
analysis. PLoS Comput Biol.
5(11): e1000574. (2009)[pdf] |
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C.
Baldauf, R.
Schneppenheim, W. Stacklies, T. Obser, A. Pieconka, S. Schneppenheim,
U. Budde, F. Gräter. Shear-Induced
Unfolding Activates von Willebrand Factor A2 Domain for Proteolysis.
Journal
of
Thrombosis and Haemostasis, 7: 2096–105. (2009) [pdf]
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S. Xiao,
W.
Stacklies, M. Cetinkaya, B. Markert, F. Gräter. Mechanical Response of Silk Crystalline
Units from Force Distribution Analysis. Biophysical Journal, 96(10)
3997-4005. (2009) [pdf]
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W.
Stacklies,
M.C. Vega, M. Wilmanns, F. Gräter. Mechanical
Network in Titin Immunoglobulin from Force Distribution Analysis.
Plos
Comp.
Biol. 5(3):e1000306. (2009) [pdf]
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2005~2008
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E.
Puchner, A.
Alexandrovitch, B. Brandmeier, U. Hensen, L. Schäfer,
F. Gräter, H. Grubmüller, H. Gaub, M. Gautel. Mechanoenzymatics
of titin kinase. PNAS,
105(36): 13385-90. (2008) [pdf]
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F.
Graeter, P.
Haider, R. Zangi, B. J. Berne. Dissecting
entropic coiling and poor solvent effects in protein collapse. J.
Amer. Chem. Soc., 130(35):
11578-9. (2008) [pdf]
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A. P.
Wiita,
R. Perez-Jimenez, K. A. Walther, F. Gräter, B. J. Berne, A. Holmgren,
J. M. Sanchez-Ruiz, and J. M. Fernandez. Probing the chemistry of thioredoxin
catalysis with force. Nature,
450, 124-7. (2007)[pdf]
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K. Walther, F. Gräter, L. Dougan, C.
L.
Badilla, B. J. Berne, J. M.
Fernandez. Signatures of hydrophobic collapse in extended
proteins captured with force spectroscopy. PNAS 104, 7916. (2007) [pdf] |
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F. Gräter, H. Grumbüller. Fluctuations
of primary ubiquitin
folding intermediates in a force clamp. J Struct Biol.
157(3):557-69. (2007) [pdf] |
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Takamori S, Holt M, Stenius K, Lemke
EA,
Gronborg M, Riedel D, Urlaub H,
Schenck S, Brugger B, Ringler P, Muller SA,
Rammner B, Grauml;ter F, Hub JS, De Groot BL, Mieskes G, Moriyama
Y, Klingauf J, Grubmuller H, Heuser J, Wieland F, Jahn R.
Molecular anatomy of a trafficking organelle.
Cell.
127(4):831-46. (2006) [pdf]
[Cover] |
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F. Gräter, B. de Groot, H. Jiang, H.
Grumbüller. Ligand release
pathways in the pheromone binding
protein of Bombyx mori. Structure 14(10):1567-76. (2006) [pdf] |
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F. Gräter, H. Xu, W. Leal, H.
Grumbüller.
Pheromone discrimination by the pheromone-binding protein of Bombyx
mori. Structure 14(10):1577. (2006)[pdf] |
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F. Gräter. Enforced
functional
protein motions studied by Molecular Dynamics simulations.
PhD thesis, University of
Göttingen . [pdf] |
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M. Andresen, M. C. Wahl, A. C. Stiel,
F.
Gräter, L. V. Schäfer, S. Trowitzsch, G. Weber, C. Eggeling, H.
Grubmüller, S. W. Hell, S. Jakobs. Structure and mechanism of
the reversible photoswitch of a fluorescent protein. Proc
Natl Acad Sci U S A. 102:13070-13074. (2005) [pdf] |
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F. Gräter, J. Shen, H. Jiang, M.
Gautel,
and H. Grubmüller. Mechanically Induced Titin Kinase
Activation Studied by Force-Probe Molecular Dynamics Simulations. Biophys.
J. 88:790-804. (2005) [pdf] |
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W. Li, H. Liu, E. E. Scott, F.
Gräter, J.
R. Halpert, X. Luo, J. Shen, J. Jiang Possible pathway(s) of
testosterone egress from the active site of cytochrome P450 2B1: a
steered molecular dynamics simulation. Drug Metab Dispos.
33(7):910-9. (2005) [pdf] |
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F. Gräter, S.M. Schwarzl, A.
Dejaegere, S.
Fischer, J.C. Smith. Protein/ligand binding free energies
calculated with quantum mechanics/molecular mechanics.
J. Phys. Chem. B 109
(20):
10474-10483. (2005) [pdf] |
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