Publications of H. Grubmüller
All genres
Journal Article (240)
101.
Journal Article
8 (6), e65617 (2013)
Quantifying disorder through conditional entropy: An application to fluid mixing. PLoS One 102.
Journal Article
138 (16), 164304 (2013)
Core hole screening and decay rates of double core ionized first row hydrides. The Journal of Chemical Physics 103.
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 104.
Journal Article
184 (3), pp. 841 - 852 (2013)
In silico FRET from simulated dye dynamics. Computer physics communications 105.
Journal Article
20, pp. 679 - 686 (2013)
Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment. Nature Structural and Molecular Biology 106.
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 107.
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 108.
Journal Article
7 (6), e38302 (2012)
Line-tension controlled mechanism for influenza fusion. PLoS One 109.
Journal Article
7 (5), e33931 (2012)
Exploring protein dynamics space: The dynasome as the missing link between protein structure and function. PLoS One 110.
Journal Article
22 (2), pp. 187 - 196 (2012)
How SNARE molecules mediate membrane fusion: Recent insights from molecular simulations. Current Opinion in Structural Biology 111.
Journal Article
33 (1), pp. 25 - 33 (2012)
Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry 112.
Journal Article
136 (14), 144304 (2012)
Auger spectrum of a water molecule after single and double core ionization. Journal of Chemical Physics 113.
Journal Article
109 (11), 118304 (2012)
Universal relaxation governs the nonequilibrium elasticity of biomolecules. Physical Review Letters 114.
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 115.
Journal Article
50 (48), pp. 11437 - 11440 (2011)
Kinetics of conformational sampling in ubiquitin. Angewandte Chemie-International Edition 116.
Journal Article
39 (19), pp. 8281 - 8290 (2011)
Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 117.
Journal Article
101 (4), pp. 809 - 817 (2011)
Computational Electrophysiology: The molecular dynamics of ion channel Permeation and selectivity in atomistic detail. Biophysical Journal 118.
Journal Article
32 (9), pp. 1919 - 1928 (2011)
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. Journal of Computational Chemistry 119.
Journal Article
7 (6), pp. 1962 - 1978 (2011)
Constant pH molecular dynamics in explicit solvent with lambda-dynamics. Journal of Chemical Theory and Computation 120.
Journal Article
18 (7), pp. 805 - 812 (2011)
Synaptotagmin-1 may be a distance regulator acting upstream of SNARE nucleation. Nature Structural and Molecular Biology