A first-principles approach to protein–ligand interaction

Forskningsoutput: AvhandlingDoktorsavhandling (sammanläggning)

Fler filtreringsmöjligheter
  1. 2010
  2. Ligand affinities estimated by quantum chemical calculations

    Pär Söderhjelm, Kongsted, J. & Ulf Ryde, 2010, I : Journal of Chemical Theory and Computation. 6, 5, s. 1726-1737

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. 2009
  4. On the coupling of intermolecular polarization and repulsion through pseudo-potentials

    Pär Söderhjelm & Öhrn, A., 2009, I : Chemical Physics Letters. 468, 1-3, s. 94-99

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. 2008
  6. Accuracy of typical approximations in classical models of intermolecular polarization.

    Pär Söderhjelm, Öhrn, A., Ulf Ryde & Gunnar Karlström, 2008, I : Journal of Chemical Physics. 128, 1, 014102.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  7. 2007
  8. Accuracy of distributed multipoles and polarizabilities: Comparison between the LoProp and MpProp models

    Pär Söderhjelm, Krogh, J. W., Gunnar Karlström, Ulf Ryde & Lindh, R., 2007, I : Journal of Computational Chemistry. 28, 6, s. 1083-1090

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  9. 2006
  10. Comparison of overlap-based models for approximating the exchange-repulsion energy

    Pär Söderhjelm, Gunnar Karlström & Ulf Ryde, 2006, I : Journal of Chemical Physics. 124, 24, 244101.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift