Publications of B. L. de Groot
All genres
Journal Article (198)
101.
Journal Article
9 (9), e1003232 (2013)
Collective dynamics underlying allosteric transitions in hemoglobin. PLoS Computational Biology 102.
Journal Article
61 (7), pp. 1101 - 1112 (2013)
Phosphorylation of rat aquaporin-4 at Ser111 is not required for channel gating. Glia 103.
Journal Article
9 (5), e1003058 (2013)
Probing the energy landscape of activation gating of the bacterial potassium channel KcsA. PLoS Computational Biology 104.
Journal Article
30 (3), pp. 246 - 260 (2013)
The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site. Molecular Membrane Biology 105.
Journal Article
110 (12), pp. 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 106.
Journal Article
8 (1), pp. 249 - 256 (2013)
Discovery of novel human aquaporin-1 blockers. ACS Chemical Biology 107.
Journal Article
104 (1), pp. 196 - 207 (2013)
Optimal superpositioning of flexible molecule ensemble. Biophysical Journal 108.
Journal Article
8 (10), e1002704 (2012)
Ubiquitin dynamics in complexes reveal molecular recognition mechanisms beyond induced fit and conformational selection. PLoS Computational Biology 109.
Journal Article
20 (9), pp. 1540 - 1549 (2012)
Beta-barrel mobility underlies closure of the voltage-dependent anion channel. Structure 110.
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 111.
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 112.
Journal Article
116 (29), pp. 8350 - 8357 (2012)
Molecular dynamics in principal component space. Journal of Physical Chemistry B 113.
Journal Article
7 (7), e41023 (2012)
A molecular switch driving inactivation in the cardiac K+ channel hERG. PLoS One 114.
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 115.
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 116.
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 117.
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 118.
Journal Article
286 (52), pp. 44319 - 44325 (2011)
Aquaporin-9 protein is the primary route of hepatocyte glycerol uptake for glycerol gluconeogenesis in mice. Journal of Biological Chemistry 119.
Journal Article
50 (48), pp. 11437 - 11440 (2011)
Kinetics of conformational sampling in ubiquitin. Angewandte Chemie-International Edition 120.
Journal Article
39 (19), pp. 8281 - 8290 (2011)
Towards computional specificity screening of DNA-binding proteins. Nucleic Acids Research