Blar i forfatter "Andberg, Tor Arne Heim"

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    • Protein-protein binding affinities calculated using the LIE method 

      Andberg, Tor Arne Heim (Master thesis; Mastergradsoppgave, 2011-11-15)
      Absolute binding free energies for the third domain of the turkey ovomucoid inhibitor in complex with Streptomyces griseus proteinase B and porcine pancreatic elastase has been calculated using the linear interaction energy method.

    • QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q 

      Jespers, Willem; Isaksen, Geir Villy; Andberg, Tor Arne Heim; Vasile, Silvana; van Veen, Amber; Åqvist, Johan; Brandsdal, Bjørn Olav; Gutiérrez-de-Terán, Hugo (Journal article; Tidsskriftartikkel; Peer reviewed, 2019-08-22)
      Predicting the effect of single-point mutations on protein stability or protein−ligand binding is a major challenge in computational biology. Free energy calculations constitute the most rigorous approach to this problem, though the estimation of converged values for amino acid mutations remains challenging. To overcome this limitation, we developed tailored protocols to calculate free energy ...