Buelens, F. P. and H. Grubmüller: Linear-scaling soft-core scheme for alchemical free energy calculations.. In: Journal of Computational Chemistry 33, 1, 25-33 (2012).
url: http://onlinelibrary.wiley.com/doi/10.1002/jcc.21938/pdf
Seeliger, D., S. Sörös, R. Klingberg, D. Schwarzer, H. Grubmüller and W. Fischle: Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches.. In: ACS Chemical Biology 7, 1, 150-154, Seq. No.: DOI: 10.1021/cb200363r (2012).
url: http://pubs.acs.org/doi/pdfplus/10.1021/cb200363r
van den Bogaart, G., K. Meyenberg, H. J. Risselada, H. Amin, K. I. Willig, B. E. Hubrich, M. Dier, S. W. Hell, H. Grubmüller, U. Diederichsen and R. Jahn: Membrane protein sequestering by ionic protein–lipid interactions.. In: Nature 479, 7374, 552-555, Seq. No.: doi:10.1038/nature10545 (2011).
Seeliger, D., F. P. Buelens, M. Götte, B. L. de Groot and H. Grubmüller: Towards computional specificity screening of DNA-binding proteins.. In: Nucleic Acids Research 39, 19, 8281-8290 (2011).
url: http://nar.oxfordjournals.org/content/39/19/8281.full.pdf+html
Kutzner, C., H. Grubmüller, B. L. de Groot and U. Zachariae: Computational electrophysiology: The molecular dynamics of ion channel permeation and selectivity in atomistic detail.. In: Biophysical Journal 101, 4, 809-817 (2011).
url: http://www.sciencedirect.com/science?_ob=MiamiImageURL&_cid=277708&_user=38661&_pii=S0006349511007065&_check=y&_origin=browse&_coverDate=17-Aug-2011&view=c&wchp=dGLzVlk-zSkWA&md5=b0c4b112af163efb0339e2d2f9c7e98e/1-s2.0-S0006349511007065-main.pdf
Doelker, N., C. Blanchet, T. Monecke, D. Svergun, R. Ficner, H. Grubmüller and A. Dickmanns: Allostery in nuclear export: A hybrid methods approach.. In: European Biophysics Journal 40, Supplement 1 (2011) 104-105.
Höfling, M., N. Lima, D. Haenni, C. A. M. Seidel, B. Schuler and H. Grubmüller: Atomistic simulation of single molecule fluorescence experiments: FRET beyond kappa(2)=2/3.. In: European Biophysics Journal 40, Supplement 1 (2011) 106-107.
Vaiana, A. C., L. V. Bock, C. Blau, N. Fischer, H. Stark, W. Wintermeyer, M. V. Rodnina and H. Grubmüller: Molecular dynamics simulations of ribosomal translocation based on cryo-EM data.. In: European Biophysics Journal with Biophysics Letters 40, Supplement 1 (2011) 119-119.
de Jong, D. H., L. V. Schaefer, A. H. de Vries, S. J. Marrink, H. J. C. Berendsen and H. Grubmüller: Determining equilibrium constants for dimerization reactions from molecular dynamics simulations.. In: Journal of Computational Chemistry 32, 9, 1919-1928 (2011).
url: http://onlinelibrary.wiley.com/doi/10.1002/jcc.21776/pdf
Donnini, S., F. Tegeler, G. Groenhof and H. Grubmüller: Constant pH molecular dynamics in explicit solvent with lambda-dynamics.. In: Journal of Chemical Theory and Computation 7, 6, 1962-1978 (2011).
url: http://pubs.acs.org/doi/pdfplus/10.1021/ct200061r
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