Publications of H. Grubmüller
All genres
Journal Article (226)
81.
Journal Article
10 (1), pp. 381 - 390 (2014)
Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge. Journal of Chemical Theory and Computation 82.
Journal Article
184 (12), pp. 2856 - 2859 (2013)
g_contacts: Fast contact search in bio-molecular ensemble data. Computer Physics Communications 83.
Journal Article
20 (12), pp. 1390 - 1396 (2013)
Energy barriers and driving forces in tRNA translocation through the ribosome. Nature Structural and Molecular Biology 84.
Journal Article
14 (12), pp. 2687 - 2697 (2013)
Force distribution analysis of mechanochemically reactive dimethylcyclobutene. ChemPhysChem 85.
Journal Article
21 (8), pp. 1350 - 1360 (2013)
Structural determinants and mechanism of mammalian CRM1 allostery. Structure 86.
Journal Article
3 (4), pp. 408 - 425 (2013)
Proteins in the gas phase. Wiley Interdisciplinary Reviews: Computational Molecular Science 87.
Journal Article
8 (6), e65617 (2013)
Quantifying disorder through conditional entropy: An application to fluid mixing. PLoS One 88.
Journal Article
138 (16), 164304 (2013)
Core hole screening and decay rates of double core ionized first row hydrides. The Journal of Chemical Physics 89.
Journal Article
110 (3), pp. 960 - 965 (2013)
Structural basis for cooperativity of CRM1 export complex formation. Proceedings of the National Academy of Sciences of the United States of America 90.
Journal Article
184 (3), pp. 841 - 852 (2013)
In silico FRET from simulated dye dynamics. Computer physics communications 91.
Journal Article
20, pp. 679 - 686 (2013)
Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment. Nature Structural and Molecular Biology 92.
Journal Article
82 (4), pp. 711 - 718 (2012)
Efficient binding of 4/7 α-conotoxins to nicotinic α4β2 receptors is prevented by Arg185 and Pro195 in the α4 subunit. Molecular Pharmacology 93.
Journal Article
106 (34), pp. 13626 - 13631 (2012)
Influenza virus binds its host cell using multiple dynamic interactions. Proceedings of the National Academy of Sciences of the United States of America 94.
Journal Article
7 (6), e38302 (2012)
Line-tension controlled mechanism for influenza fusion. PLoS One 95.
Journal Article
7 (5), e33931 (2012)
Exploring protein dynamics space: The dynasome as the missing link between protein structure and function. PLoS One 96.
Journal Article
22 (2), pp. 187 - 196 (2012)
How SNARE molecules mediate membrane fusion: Recent insights from molecular simulations. Current Opinion in Structural Biology 97.
Journal Article
33 (1), pp. 25 - 33 (2012)
Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry 98.
Journal Article
136 (14), 144304 (2012)
Auger spectrum of a water molecule after single and double core ionization. Journal of Chemical Physics 99.
Journal Article
109 (11), 118304 (2012)
Universal relaxation governs the nonequilibrium elasticity of biomolecules. Physical Review Letters 100.
Journal Article
7 (1), pp. 150 - 154 (2012)
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches. ACS Chemical Biology