Suchergebnisse

Zeitschriftenartikel (4)

  1. Zeitschriftenartikel
    Dobrev, P.; Donnini, S.; Groenhof, G.; Grubmüller, H.: Accurate three states model for amino acids with two chemically coupled titrating sites in explicit solvent atomistic constant pH simulations and pKa calculations. Journal of Chemical Theory and Computation 13 (1), S. 147 - 160 (2017)
  2. Zeitschriftenartikel
    Bennett, W. F. D.; Chen, A. W.; Donnini, S.; Groenhof, G.; Tieleman, D. P.: Constant pH simulations with the coarse-grained MARTINI model—Application to oleic acid aggregates. Canadian Journal of Chemistry 91 (9), S. 839 - 846 (2013)
  3. Zeitschriftenartikel
    Donnini, S.; Villa, A.; Groenhof, G.; Mark, A. E.; Wierenga, R. K.; Juffer, A. H.: Inclusion of ionization states of ligands in affinity calculations. Proteins: Structure, Function, and Bioinformatics 76 (1), S. 138 - 150 (2009)
  4. Zeitschriftenartikel
    Donnini, S.; Groenhof, G.; Wierenga, R. K.; Juffer, A. H.: The planar conformation of a strained proline ring: A QM/MM study. Proteins 64 (3), S. 700 - 710 (2006)

Konferenzbeitrag (1)

  1. Konferenzbeitrag
    Bennett, W. F. D.; Donnini, S.; Groenhof, G.; Tielemann, D. P.: Fatty acid aggregates simulated using constant pH molecular dynamics with a coarse-grained model. 57th Annual Meeting of the Biophysical-Society , Philadelphia/PA, 02. Februar 2013 - 06. Februar 2013. Biophysical Journal 104 (Supplement 1), S. 169A - 169A (2013)
Zur Redakteursansicht