Essays about: "Eric Fagerberg"
Found 1 essay containing the words Eric Fagerberg.
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1. Extending the scope of alchemical perturbation methods for ligand binding free energy calculations
University essay from Lunds universitet/Biofysikalisk kemiAbstract : Previously, a method for computing binding free energies between different poses of a ligand bound to a protein using alchemical perturbation was developed. The methodology is to perturb the ligand into a smaller version, common to both poses, from which the difference in free energy between poses can be computed. READ MORE
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