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Entries: 1-10  
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Linear-scaling soft-core scheme for alchemical free energy calculations.
Authors: Buelens, F. P.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2012-01-05
Title of Journal: Journal of Computational Chemistry
Volume: 33
Issue / Number: 1
Start Page: 25
End Page: 33
Document Type: Article
ID: 576016.0
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches.
Authors: Seeliger, D.; Sörös, S.; Klingberg, R.; Schwarzer, D.; Grubmüller, H.; Fischle, W.
Date of Publication (YYYY-MM-DD): 2012-01
Title of Journal: ACS Chemical Biology
Volume: 7
Issue / Number: 1
Start Page: 150
End Page: 154
Sequence Number of Article: DOI: 10.1021/cb200363r
Document Type: Article
ID: 574008.0
Membrane protein sequestering by ionic protein–lipid interactions.
Authors: van den Bogaart, G.; Meyenberg, K.; Risselada, H. J.; Amin, H.; Willig, K. I.; Hubrich, B. E.; Dier, M.; Hell, S. W.; Grubmüller, H.; Diederichsen, U.; Jahn, R.
Date of Publication (YYYY-MM-DD): 2011-10-23
Title of Journal: Nature
Volume: 479
Issue / Number: 7374
Start Page: 552
End Page: 555
Sequence Number of Article: doi:10.1038/nature10545
Document Type: Article
ID: 573356.0
Towards computional specificity screening of DNA-binding proteins.
Authors: Seeliger, D.; Buelens, F. P.; Götte, M.; de Groot, B. L.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-10
Title of Journal: Nucleic Acids Research
Volume: 39
Issue / Number: 19
Start Page: 8281
End Page: 8290
Document Type: Article
ID: 573705.0
Computational electrophysiology: The molecular dynamics of ion channel permeation and selectivity in atomistic detail.
Authors: Kutzner, C.; Grubmüller, H.; de Groot, B. L.; Zachariae, U.
Date of Publication (YYYY-MM-DD): 2011-08-17
Title of Journal: Biophysical Journal
Volume: 101
Issue / Number: 4
Start Page: 809
End Page: 817
Document Type: Article
ID: 571680.0
Allostery in nuclear export: A hybrid methods approach.
Authors: Doelker, N.; Blanchet, C.; Monecke, T.; Svergun, D.; Ficner, R.; Grubmüller, H.; Dickmanns, A.
Date of Publication (YYYY-MM-DD): 2011-08
Name of Conference/Meeting: 8th EBSA European Biophysics Congress
Title of Journal: European Biophysics Journal
Volume (in Journal): 40
Issue / Number: Supplement 1
Start Page: 104
End Page: 105
Document Type: Conference-Paper
ID: 577385.0
Atomistic simulation of single molecule fluorescence experiments: FRET beyond kappa(2)=2/3.
Authors: Höfling, M.; Lima, N.; Haenni, D.; Seidel, C. A. M.; Schuler, B.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-08
Name of Conference/Meeting: 8th EBSA European Biophysics Congress
Title of Journal: European Biophysics Journal
Volume (in Journal): 40
Issue / Number: Supplement 1
Start Page: 106
End Page: 107
Document Type: Conference-Paper
ID: 577439.0
Molecular dynamics simulations of ribosomal translocation based on cryo-EM data.
Authors: Vaiana, A. C.; Bock, L. V.; Blau, C.; Fischer, N.; Stark, H.; Wintermeyer, W.; Rodnina, M. V.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-08
Name of Conference/Meeting: 8th EBSA European Biophysics Congress
Title of Journal: European Biophysics Journal with Biophysics Letters
Volume (in Journal): 40
Issue / Number: Supplement 1
Start Page: 119
End Page: 119
Document Type: Conference-Paper
ID: 579638.0
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.
Authors: de Jong, D. H.; Schaefer, L. V.; de Vries, A. H.; Marrink, S. J.; Berendsen, H. J. C.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-07-15
Title of Journal: Journal of Computational Chemistry
Volume: 32
Issue / Number: 9
Start Page: 1919
End Page: 1928
Document Type: Article
ID: 563626.0
Constant pH molecular dynamics in explicit solvent with lambda-dynamics.
Authors: Donnini, S.; Tegeler, F.; Groenhof, G.; Grubmüller, H.
Date of Publication (YYYY-MM-DD): 2011-06
Title of Journal: Journal of Chemical Theory and Computation
Volume: 7
Issue / Number: 6
Start Page: 1962
End Page: 1978
Document Type: Article
ID: 565037.0
Entries: 1-10  
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