Journal of Chemical Information and Modeling, 1549-960X

Tidskrift

Fler filtreringsmöjligheter
  1. 2018
  2. New copper(II) salicylaldimine derivatives for mild oxidation of cyclohexane

    Busa, A. V., Lalancette, R., Ebbe Nordlander & Onani, M., 2018 jun 1, I : Journal of Chemical Sciences. 130, 6, 59.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  3. 2017
  4. Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?

    Manzoni, F., Uranga, J., Genheden, S. & Ulf Ryde, 2017 nov 27, I : Journal of Chemical Information and Modeling. 57, 11, s. 2865-2873 9 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  5. Structural Characterization of Histatin 5-Spermidine Conjugates: A Combined Experimental and Theoretical Study

    Stephanie Jephthah, Henriques, J., Cragnell, C., Puri, S., Edgerton, M. & Marie Skepö, 2017 jun 26, I : Journal of Chemical Information and Modeling. 57, 6, s. 1330-1341 12 s.

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  6. 2015
  7. Molecular Rift: Virtual Reality for Drug Designers

    Norrby, M., Grebner, C., Joakim Eriksson & Bostrom, J., 2015, I : Journal of Chemical Information and Modeling. 55, 11, s. 2475-2484

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  8. 2014
  9. A Large-Scale Test of Free-Energy Simulation Estimates of Protein-Ligand Binding Affinities.

    Mikulskis, P., Genheden, S. & Ulf Ryde, 2014, I : Journal of Chemical Information and Modeling. 54, 10, s. 2794-2806

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  10. 2012
  11. Are homology models sufficiently good for free-energy simulations?

    Genheden, S., 2012, I : Journal of Chemical Information and Modeling. 52, 11, s. 3013-3021

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  12. PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables

    Brandmaier, S., Ullrika Sahlin, Tetko, I. V. & Oberg, T., 2012, I : Journal of Chemical Information and Modeling. 52, 4, s. 975-983

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  13. The Normal-Mode Entropy in the MM/GBSA Method: Effect of System Truncation, Buffer Region, and Dielectric Constant

    Genheden, S., Kuhn, O., Mikulskis, P., Hoffmann, D. & Ulf Ryde, 2012, I : Journal of Chemical Information and Modeling. 52, 8, s. 2079-2088

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  14. 2011
  15. Binding Affinities of Factor Xa Inhibitors Estimated by Thermodynamic Integration and MM/GBSA.

    Genheden, S., Nilsson, I. & Ulf Ryde, 2011, I : Journal of Chemical Information and Modeling. 51, Online March 18, 2011, s. 947-958

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  16. 2004
  17. Detailed mechanism generation. 1. Generalized reactive properties as reaction class substructures

    Blurock, E., 2004, I : Journal of Chemical Information and Computer Sciences. 44, 4, s. 1336-1347

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

  18. Detailed mechanism generation. 2. Aldehydes, ketones, and olefins

    Blurock, E., 2004, I : Journal of Chemical Information and Computer Sciences. 44, 4, s. 1348-1357

    Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift