Publications
Journal Article (7)
1.
Journal Article
15 (11), pp. 1482 - 1492 (2007)
Geometry-based sampling of conformational transitions in proteins. Structure 2.
Journal Article
93 (9), pp. 3156 - 3168 (2007)
Short-range order and collective dynamics of DMPC bilayers: a comparison between molecular dynamics simulations, X-ray, and neutron scattering experiments. Biophysical Journal 3.
Journal Article
36 (8), pp. 919 - 931 (2007)
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments. European Biophysical Journal 4.
Journal Article
68 (3), pp. 595 - 601 (2007)
Atomic contacts in protein structures. A detailed analysis of atomic radii, packing, and overlaps. Proteins-Structure Function and Bioinformatics 5.
Journal Article
92 (11), pp. 3930 - 3937 (2007)
Invariance of single-file water mobility in gramicidin-like peptidic pores as function of pore length. Biophysical Journal 6.
Journal Article
92, pp. 4262 - 4270 (2007)
Molecular dynamics simulations using temperature-enhanced essential dynamics replica exchange. Biophysical Journal 7.
Journal Article
28 (12), pp. 2075 - 2084 (2007)
Speeding up parallel GROMACS on high-latency networks. Journal of Computational Chemistry