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I am a PhD student at the Chemistry Department of the Freie Universität Berlin.
- Work methods: Molecular dynamics and Statistical mechanical modeling of proteins.
- Applications: Alzheimer's disease Beta-amyloid and prion protein aggregates. Conformational search in the early aggregation steps of mutant Huntingtin. Protein-ligand binding free energy calculations.
- Developed a new method for calculating conformational entropy of biomolecules which overcomes the overestimation intrinsic to the quasi-harmonic approximation. Now working on its implementation and application.
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