Publications of B. L. de Groot
All genres
Journal Article (197)
81.
Journal Article
113 (12), pp. 3269 - 3274 (2016)
Allosteric switch regulates protein–protein binding through collective motion. Proceedings of the National Academy of Sciences of the United States of America 82.
Journal Article
164 (5), pp. 937 - 949 (2016)
A non-canonical voltage sensor controls gating in K2P K2 channels. Cell 83.
Journal Article
23 (12), pp. 2309 - 2318 (2015)
H95 is a pH-dependent gate in Aquaporin 4. Structure 84.
Journal Article
11 (11), pp. 5513 - 5524 (2015)
Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. Journal of Chemical Theory and Computation 85.
Journal Article
63 (3), pp. 299 - 307 (2015)
Improved validation of IDP ensembles by one-bond Cα-Hα scalar couplings. Journal of Biomolecular NMR 86.
Journal Article
36 (26), pp. 1990 - 2008 (2015)
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. Journal of Computational Chemistry 87.
Journal Article
112 (40), pp. 12390 - 12395 (2015)
The membrane anchor of the transcriptional activator SREBP is characterized by intrinsic conformational flexibility. Proceedings of the National Academy of Sciences of the United States of America 88.
Journal Article
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations. arXiv, 1507.00898v1 (2015)
89.
Journal Article
108 (10), pp. 2585 - 2590 (2015)
Binding affinities controlled by shifting conformational equilibria: Opportunities and limitations. Biophysical Journal 90.
Journal Article
36 (5), pp. 348 - 354 (2015)
Pmx: Automated protein structure and topology generation for alchemical perturbations. Journal of Computational Chemistry 91.
Journal Article
160 (3), pp. 542 - 553 (2015)
Mechanisms of anion conduction by coupled glutamate transporters. Cell 92.
Journal Article
54 (1), pp. 207 - 210 (2015)
Population shuffling of protein conformations. Angewandte Chemie International Edition 93.
Journal Article
345 (6207), pp. 352 - 355 (2014)
Ion permeation in K+ channels occurs by direct Coulomb knock-on. Science 94.
Journal Article
53 (39), pp. 10367 - 10371 (2014)
A designed conformational shift to control protein binding specificity. Angewandte Chemie International Edition 95.
Journal Article
426 (2), pp. 362 - 376 (2014)
Spontaneous aggregation of the insulin-derived steric zipper peptide VEALYL results in different aggregation forms with common features. Journal of Molecular Biology 96.
Journal Article
10 (1), pp. 381 - 390 (2014)
Quantifying artifacts in Ewald simulations of inhomogeneous systems with a net charge. Journal of Chemical Theory and Computation 97.
Journal Article
21 (12), pp. 2162 - 2174 (2013)
Phosphorylation drives a dynamic switch in serine/arginine-rich proteins. Structure 98.
Journal Article
27 (10), pp. 845 - 858 (2013)
Computational analysis of local membrane properties. Journal of Computer-Aided Molecular Design 99.
Journal Article
52 (42), pp. 7397 - 7404 (2013)
How the dynamics of the metal-binding loop region controls the acid transition in cupredoxins. Biochemistry 100.
Journal Article
9 (9), e1003232 (2013)
Collective dynamics underlying allosteric transitions in hemoglobin. PLoS Computational Biology