Essays about: "Eric Fagerberg"

Found 1 essay containing the words Eric Fagerberg.

  1. 1. Extending the scope of alchemical perturbation methods for ligand binding free energy calculations

    University essay from Lunds universitet/Biofysikalisk kemi

    Author : Eric Fagerberg; [2016]
    Keywords : biophysical chemistry; biofysikalisk kemi; Chemistry; Technology and Engineering; Biology and Life Sciences;

    Abstract : 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