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Journal Article (2)

  1. 1.
    Journal Article
    Huang, J.; Rauscher, S.; Nawrocki, G.; Ran, T.; Feig, M.; de Groot, B. L.; Grubmüller, H.; MacKerell, A. D.: CHARMM36m: An improved force field for folded and intrinsically disordered proteins. Nature Methods 14 (1), pp. 71 - 73 (2017)
  2. 2.
    Journal Article
    Rauscher, S.; Gapsys, V.; Gajda, M. J.; Zweckstetter, M.; de Groot, B. L.; Grubmüller, H.: Structural ensembles of intrinsically disordered proteins depend strongly on force field: A comparison to experiment. Journal of Chemical Theory and Computation 11 (11), pp. 5513 - 5524 (2015)

Conference Paper (9)

  1. 3.
    Conference Paper
    Pomes, R.; Huynh, Q.; Reichheld, S.; Rauscher, S.; Wu, Z. H.; Sharpe, S.: Structure and self-assembly of elastin-like peptides: A joint molecular dynamics and NMR study. 31st Annual Symposium of the Protein-Society, Montreal, Canada, July 24, 2017 - July 27, 2017. Protein Science 26 (Suppl 1), pp. 119 - 120 (2017)
  2. 4.
    Conference Paper
    Huynh, Q.; Reichheld, S.; Rauscher, S.; Sharpe, S.; Pomes, R.: Structure and self-assembly of elastin-like peptides: A joint molecular dynamics and NMR study. 19th IUPAB Congress / 11th EBSA Congress, Edinburgh, Scotland, July 16, 2017 - July 20, 2017. European Biophysics Journal 46 (Suppl_1), p. S395 - S395 (2017)
  3. 5.
    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)
  4. 6.
    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), pp. 175a - 176a (2017)
  5. 7.
    Conference Paper
    Huynh, Q.; Reichheld, S.; Rauscher, S.; Wu, Z. H.; Sharpe, S.; Pomes, R.: Structure and self-assembly of elastin-like peptides: A joint molecular dynamics and NMR study. 58th Annual Meeting of the Biophysical-Society , San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 112 (Suppl 1), pp. 206a - 207a (2017)
  6. 8.
    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), p. 358A - 358A (2016)
  7. 9.
    Conference Paper
    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)
  8. 10.
    Conference Paper
    Rauscher, S.; Gapsys, V.; Volkhardt, A.; Blau, C.; de Groot, B. L.; Grubmüller, H.: Structural ensembles of intrinsically disordered proteins depend strongly on force field. 58th Annual Meeting of the Biophysical-Society, San Francisco, CA, February 15, 2014 - February 19, 2014. Biophysical Journal 106 (2, Suppl. 1), p. 271a (2014)
  9. 11.
    Conference Paper
    Rauscher, S.; Grubmüller, H.: Structural ensembles of intrinsically disordered FG-nucleoporins depend on force field. 57th Annual Meeting of the Biophysical-Society, Philadelphia, PA, February 02, 2013 - February 06, 2013. Biophysical Journal 104 (Supplement 1), p. 15A - 15A (2013)
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