Computational and Theoretical Chemistry, 2210-2728

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  1. 2012

  2. Can the protonation state of histidine residues be determined from molecular dynamics simulations?

    Jon Uranga, Paulius Mikulskis, Samuel Genheden & Ulf Ryde, 2012, In : Computational and Theoretical Chemistry. 1000, p. 75-84

    Research output: Contribution to journal › Article

  3. 2007

  4. Hydration of trimethylamine-N-oxide and of dimethyldodecylamine-N-oxide: An ab initio study

    Vitaly Kocherbitov, Valera Veryazov & Olle Söderman, 2007, In : Journal of molecular structure. Theochem. 808, 1-3, p. 111-118

    Research output: Contribution to journal › Article

  5. 2006
  7. 2004

  8. Study of the hydronium ion in water. A combined quantum chemical and statistical mechanical treatment

    J M Hermida-Ramon & Gunnar Karlström, 2004, In : Journal of molecular structure. Theochem. 712, 1-3, p. 167-173

    Research output: Contribution to journal › Article

  9. 2003

  10. Quantum refinement - a combination of quantum chemistry and protein crystallography.

    Ulf Ryde & Kristina Nilsson, 2003, In : Journal of molecular structure. Theochem. 632, 1-3, p. 259-275

    Research output: Contribution to journal › Review article

  11. 2002

  12. The axial N-base has minor influence on Co-C bond cleavage in cobalamins

    Kasper Jensen & Ulf Ryde, 2002, In : Journal of molecular structure. Theochem. 585, 1, p. 239-255

    Research output: Contribution to journal › Article

  13. 2001