Publikationen von B. L. de Groot
Alle Typen
Zeitschriftenartikel (197)
101.
Zeitschriftenartikel
61 (7), S. 1101 - 1112 (2013)
Phosphorylation of rat aquaporin-4 at Ser111 is not required for channel gating. Glia 102.
Zeitschriftenartikel
9 (5), e1003058 (2013)
Probing the energy landscape of activation gating of the bacterial potassium channel KcsA. PLoS Computational Biology 103.
Zeitschriftenartikel
30 (3), S. 246 - 260 (2013)
The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site. Molecular Membrane Biology 104.
Zeitschriftenartikel
110 (12), S. 4586 - 4591 (2013)
Crystal structure and functional mechanism of a human antimicrobial membrane channel. Proceedings of the National Academy of Sciences of the United States of America 105.
Zeitschriftenartikel
8 (1), S. 249 - 256 (2013)
Discovery of novel human aquaporin-1 blockers. ACS Chemical Biology 106.
Zeitschriftenartikel
104 (1), S. 196 - 207 (2013)
Optimal superpositioning of flexible molecule ensemble. Biophysical Journal 107.
Zeitschriftenartikel
8 (10), e1002704 (2012)
Ubiquitin dynamics in complexes reveal molecular recognition mechanisms beyond induced fit and conformational selection. PLoS Computational Biology 108.
Zeitschriftenartikel
20 (9), S. 1540 - 1549 (2012)
Beta-barrel mobility underlies closure of the voltage-dependent anion channel. Structure 109.
Zeitschriftenartikel
103 (4), S. 786 - 796 (2012)
Partial least squares functional mode analysis: Application to the membrane proteins AQP1, Aqy1 and CLC-ec1. Biophysical Journal 110.
Zeitschriftenartikel
421 (2-3), S. 390 - 416 (2012)
Driving forces and structural determinants of steric zipper peptide oligomer formation elucidated by atomistic simulations. Journal of Molecular Biology 111.
Zeitschriftenartikel
116 (29), S. 8350 - 8357 (2012)
Molecular dynamics in principal component space. Journal of Physical Chemistry B 112.
Zeitschriftenartikel
7 (7), e41023 (2012)
A molecular switch driving inactivation in the cardiac K+ channel hERG. PLoS One 113.
Zeitschriftenartikel
8 (7), S. 2373 - 2382 (2012)
New soft-core potential function for molecular dynamics based alchemical free energy calculations. Journal of Chemical Theory and Computation 114.
Zeitschriftenartikel
109 (25), S. 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 115.
Zeitschriftenartikel
103 (8), S. 1698 - 1705 (2012)
Design of peptide-membrane interactions to modulate single-file water transport through modified gramicidin channels. Biophysical Journal 116.
Zeitschriftenartikel
7 (10), S. 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 117.
Zeitschriftenartikel
286 (52), S. 44319 - 44325 (2011)
Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice. Journal of Biological Chemistry 118.
Zeitschriftenartikel
50 (48), S. 11437 - 11440 (2011)
Kinetics of conformational sampling in ubiquitin. Angewandte Chemie-International Edition 119.
Zeitschriftenartikel
39 (19), S. 8281 - 8290 (2011)
Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research 120.
Zeitschriftenartikel
101 (4), S. 809 - 817 (2011)
Computational Electrophysiology: The molecular dynamics of ion channel Permeation and selectivity in atomistic detail. Biophysical Journal