Essays about: "Anders Hermansson"
Found 1 essay containing the words Anders Hermansson.
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1. Calculating Ligand-Protein Binding Energies from Molecular Dynamics Simulations
University essay from KTH/Skolan för kemivetenskap (CHE)Abstract : Indications that existing parameter sets of extended Linear Interaction Energy (LIE) models are transferable between lipases from Rhizomucor Miehei and Thermomyces Lanigunosus in complex with a small set of vinyl esters are demonstrated. By calculat- ing energy terms that represents the cost of forming cavities filled by the ligand and the complex we can add them to a LIE model with en established parameter set. READ MORE
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