Publications of B. L. de Groot

Schewe, M.; Sun, H.; Mackenzie, A.; Pike, A. C. W.; Schulz, F.; Constantin, C.; Kiper, A. K.; Conrad, L. J.; Gonzalez, W.; de Groot, B. L. et al.; Decher, N.; Fakler, B.; Carpenter, E. P.; Tucker, S. J.; Baukrowitz, T.: A pharmacological masterkey mechanism to unlock the selectivity filter gate in K plus channels. 63rd Annual Meeting of the Biophysical-Society , Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), pp. 301A - 302A (2019)

Werner, M.; de Groot, B. L.: Thermodynamic coupling - Free energy calculations of correlated amino acid mutations. Biophysical Journal 116 (Suppl_1), p. 463A - 463A (2019)

Smith , C.; Mazur, A.; Rout, A. K.; Griesinger, C.; Lee, D.; de Groot, B.: Incorporating hierarchical kinetics into determination of protein structure. 32nd Annual Symposium of the Protein-Society, Boston, MA, July 09, 2018 - July 12, 2018. Protein Science 27 (Suppl_1), pp. 158 - 159 (2018)

Buelens, F. P.; Leonov, H.; de Groot, B.; Grubmüller, H.: ATP as a fuel molecule: Evolutionary selection of magnesium-ATP interaction mode facilitates lossless chemomechanical coupling for ATPases. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal (Suppl), 3 Ed., p. 680a - 680a (2018)

Gapsys, V.; de Groot, B.: A unified framework for alchemical mutations in proteins, DNA and ligands. 62nd Annual Meeting of the Biophysical-Society, San Francisco, CA, February 17, 2018 - February 21, 2018. Biophysical Journal 114 (3, Suppl. 1), p. 674a - 674a (2018)

Rauscher, S.; Huang, J.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Mackerell, A. D.; Grubmüller, H.: Structural ensembles of intrinsically disordered proteins using all-atom molecular simulation. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S65 - S65 (2017)

Huang, J.; Rauscher, S.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Grubmüller, H.; MacKerell, A. D.: CHARMM36: An improved force field for folded and intrinsically disordered proteins. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., pp. 175a - 176a (2017)

Kopec, W.; de Groot, B.: Molecular simulations of ion permeation in potassium channels. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., p. 163a - 163a (2017)

Kutzner, C.; Ullmann, R. T.; de Groot, B. L.; Zachariae, U.; Grubmüller, H.: Ions in action - Studying ion channels by computational electrophysiology in GROMACS. 61st Annual Meeting of the Biophysical-Society, New Orleans, LA, February 11, 2017 - February 15, 2017. Biophysical Journal 112 (Suppl 1), 3 Ed., p. 139a - 139a (2017)

Brennecke, J. T.; de Groot, B. L.: Mechanosensetivity and symmetry in K2P channels. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 91A - 91A (2016)

de Groot, B. L.; Köpfer, D.; Song, C.; Gruene, T.; Sheldrick, G. M.; Zachariae, U.: The molecular dynamics of ion channel permeation, selectivity and gating. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 9A - 9A (2016)

Gapsys, V.; Michielssens, S.; Seeliger, D.; de Groot, B. L.: Insights from the first Principles based large scale protein thermostability calculations. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 368A - 368A (2016)

Machtens, J. P.; Briones, R.; de Groot, B. L.; Fahlke, C.: Gating charge calculations: Probing voltage-sensing proteins through computational electrophysiology. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 106A - 106A (2016)

Rauscher, S.; Gapsys, V.; Zhou, M.; Van, Q.; Gajda, M. J.; Zweckstetter, M.; Enderlein, J.; de Groot, B. L.; Grubmüller, H.: Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 358A - 358A (2016)

Schewe, M.; Nematian-Ardestani, E.; Sun, H.; Musinszki, M.; Cordeiro, S.; Bucci, G.; de Groot, B. L.; Tucker, S. J.; Rapedius, M.; Baukrowitz, T.: A non-canonical voltage sensor controls gating in K2P K+ channels. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl 1), 3 Ed., p. 277A - 277A (2016)

Smith, C. A.; Mazur, A.; Ban, D.; Becker, S.; Griesinger, C.; Lee, D.; de Groot, B. L.: Allostery through protein motion at different length and time scales. 60th Annual Meeting of the Biophysical-Society, Los Angeles, CA, February 27, 2016 - March 02, 2016. Biophysical Journal 110 (Suppl_1), 3 Ed., p. 221A - 221A (2016)

Assentoft, M.; Kaptan, S.; Fenton, R. A.; Hua, S. Z.; de Groot, B. L.; MacAulay, N.: Gating of aquaporin 4-phosphorylation versus protonation. 12th European Meeting on Glial Cell Function in Health and Disease, Bilbao/Spain, July 15, 2015 - July 18, 2015. Glia 63 (Supplement 1), p. E446 - E446 (2015)

Kaptan, S. S.; Assentoft, M.; Schneider, H. P.; Fenton, R. A.; Deitmer, J. W.; MacAulay, N.; de Groot, B. L.: His 95 acts as a pH gate in Aquaporin-4. Biophysical Journal 108 (Suppl. 1), p. 316a - 316a (2015)

Leonov, H.; de Groot, B. L.; Grubmüller, H.: Conformational dynamics and functional asymmetry of ABCE1, a ribosome recycling protein. 59th Annual Meeting of the Biophysical-Society, Baltimore, MD, February 07, 2015 - February 11, 2015. Biophysical Journal 108 (Supplement 1), p. 512a - 512a (2015)

Rauscher, S.; Gapsys, V.; de Groot, B. L.; Grubmüller, H.; H: Structural ensembles of intrinsically disordered proteins using molecular dynamics simulation. Biophysical Journal 108 (Supplement 1), p. 14A - 14A (2015)