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Book Chapter (7)

201.
Book Chapter
Kutzner, C.; van der Spoel, D.; Fechner, M.; Lindahl, E.; Schmitt, U. W.; de Groot, B. L.; Grubmueller, H.: Improved GROMACS scaling on ethernet switched clusters. In: Recent advances in parallel virtual machine and message passing interface. 13th European PVM/MPI User`s Group meeting, Bonn, Germany, September 17-20, 2006, pp. 404 - 405 (Eds. Mohr, B.; Larsson, T. J.; Worringen, J.; Dongarra, J.). Springer, Berlin (2006)

Conference Paper (42)

202.
Conference Paper
Vowinkel, K. S.; Rinne, S.; Kopec, W.; Leonhardt, J.; Bedoya, M.; Schewe, M.; Kiper, A. K.; Baukrowitz, T.; Gonzalez, W.; de Groot, B. L. et al.; Decher, N.: The 'cap' structure provides an essential structural requirement for the stabilization of the K plus -flux gated open state of K2P channels. 98th Meeting of the German Physiological Society, Ulm, September 30, 2019 - October 02, 2019. Acta Physiologica 227 (719), B 06-7, (2019)
203.
Conference Paper
de Groot, B.: Molecular dynamics of potassium channel permeation, selectivity, and gating. National Meeting of the American-Chemical-Society (ACS), Orlando, FL, March 31, 2019 - April 04, 2019. Abstracts of Papers - American Chemical Society 257, 77, (2019)
204.
Conference Paper
Briones, R.; Blau, C.; Kutzner, C.; de Groot, B. L.; Aponte-Santamaria, C.: Gromaps: A Gromacs-based toolset to analyse density maps derived from molecular dynamics simulations. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), pp. 142A - 143A (2019)
205.
Conference Paper
Kopec, W.; de Groot, B. L.: Molecular simulations of ion permeation, gating and selectivity in K+ channels. 63rd Annual Meeting of the Biophysical-Society, Baltimore, MD, March 02, 2019 - March 06, 2019. Biophysical Journal 116 (Suppl_1), p. 16A - 16A (2019)
206.
Conference Paper
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)
207.
Conference Paper
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)
208.
Conference Paper
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)
209.
Conference Paper
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)
210.
Conference Paper
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)
211.
Conference Paper
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)
212.
Conference Paper
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)
213.
Conference Paper
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)
214.
Conference Paper
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)
215.
Conference Paper
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)
216.
Conference Paper
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)
217.
Conference Paper
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)
218.
Conference Paper
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)
219.
Conference Paper
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)
220.
Conference Paper
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)
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