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Journal Article (252)
121.
Journal Article
7 (5), e33931 (2012)
Exploring protein dynamics space: The dynasome as the missing link between protein structure and function. PLoS One 122.
Journal Article
22 (2), pp. 187 - 196 (2012)
How SNARE molecules mediate membrane fusion: Recent insights from molecular simulations. Current Opinion in Structural Biology 123.
Journal Article
33 (1), pp. 25 - 33 (2012)
Linear-scaling soft-core scheme for alchemical free energy calculations. Journal of Computational Chemistry 124.
Journal Article
136 (14), 144304 (2012)
Auger spectrum of a water molecule after single and double core ionization. Journal of Chemical Physics 125.
Journal Article
109 (11), 118304 (2012)
Universal relaxation governs the nonequilibrium elasticity of biomolecules. Physical Review Letters 126.
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 127.
Journal Article
50 (48), pp. 11437 - 11440 (2011)
Kinetics of conformational sampling in ubiquitin. Angewandte Chemie-International Edition 128.
Journal Article
39 (19), pp. 8281 - 8290 (2011)
Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 129.
Journal Article
101 (4), pp. 809 - 817 (2011)
Computational Electrophysiology: The molecular dynamics of ion channel Permeation and selectivity in atomistic detail. Biophysical Journal 130.
Journal Article
32 (9), pp. 1919 - 1928 (2011)
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. Journal of Computational Chemistry 131.
Journal Article
7 (6), pp. 1962 - 1978 (2011)
Constant pH molecular dynamics in explicit solvent with lambda-dynamics. Journal of Chemical Theory and Computation 132.
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 133.
Journal Article
6 (5), e19791 (2011)
Structural heterogeneity and quantitative FRET efficiency distributions of polyprolines through a hybrid atomistic simulation and Monte Carlo approach. PLoS One 134.
Journal Article
108 (18), pp. 7408 - 7413 (2011)
Torsional elasticity and energetics of F-1-ATPase. Proceedings of the National Academy of Sciences of the United States of America 135.
Journal Article
7 (5), pp. 1381 - 1393 (2011)
Keep it flexible: Driving macromolecular rotary motions in atomistic simulations with GROMACS. Journal of Chemical Theory and Computation 136.
Journal Article
12 (7), pp. 1049 - 1055 (2011)
Caught in the act: Visualization of SNARE-mediated fusion events in molecular detail. Chembiochem 137.
Journal Article
100 (4), pp. 1109 - 1119 (2011)
Velocity-dependent mechanical unfolding of bacteriorhodopsin is governed by a dynamic interaction network. Biophysical Journal 138.
Journal Article
479 (7374), doi:10.1038/nature10545, pp. 552 - 555 (2011)
Membrane protein sequestering by ionic protein–lipid interactions. Nature 139.
Journal Article
99 (12), pp. L97 - L99 (2010)
Voltage-regulated water flux through aquaporin channels in silico. Biophysical Journal 140.
Journal Article
18 (9), pp. 1171 - 1183 (2010)
Quantitative structural analysis of importin-β flexibility: Paradigm for solenoid protein structures. Structure