Publications
Journal Article (10)
1.
Journal Article
8 (10), e1002704 (2012)
Ubiquitin dynamics in complexes reveal molecular recognition mechanisms beyond induced fit and conformational selection. PLoS Computational Biology 2.
Journal Article
20 (9), pp. 1540 - 1549 (2012)
Beta-barrel mobility underlies closure of the voltage-dependent anion channel. Structure 3.
Journal Article
103 (4), pp. 786 - 796 (2012)
Partial least squares functional mode analysis: Application to the membrane proteins AQP1, Aqy1 and CLC-ec1. Biophysical Journal 4.
Journal Article
421 (2-3), pp. 390 - 416 (2012)
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulations. Journal of Molecular Biology 5.
Journal Article
116 (29), pp. 8350 - 8357 (2012)
Molecular dynamics in principal component space. Journal of Physical Chemistry B 6.
Journal Article
7 (7), e41023 (2012)
A molecular switch driving inactivation in the cardiac K+ channel hERG. PLoS One 7.
Journal Article
8 (7), pp. 2373 - 2382 (2012)
New soft-core potential function for molecular dynamics based alchemical free energy calculations. Journal of Chemical Theory and Computation 8.
Journal Article
109 (25), pp. 9887 - 9892 (2012)
Molecular driving forces defining lipid positions around aquaporin-0. Proceedings of the National Academy of Sciences of the United States of America 9.
Journal Article
103 (8), pp. 1698 - 1705 (2012)
Design of peptide-membrane interactions to modulate single-file water transport through modified gramicidin channels. Biophysical Journal 10.
Journal Article
7 (10), pp. 1775 - 1783 (2012)
Identification of selective inhibitors of the potassium channel Kv1.1–1.2(3) by high-throughput virtual screening and automated patch clamp. ChemMedChem