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Such process include ligand binding to a protein receptor, the transfer of a small molecule from gas to water, or the free energy of a mutation of a side chain. This approach provides not only a quantitative and rigorous method for computing free energies, but often provides insight into the dominant interactions driving binding.

Biochemistry and Molecular Biology Animations. Online Exams and Glossaries of Biochemistry and Cell Biology. Computational Methods and Tools in Biophysics. 1 The molecules of life.

This site is about recent research in computational chemistry. My main focus is the development of a novel interactive approach to molecular modeling, taking advantage of recent progress in the field of virtual reality combined with HPC. There is now a YouTube channel with movies related to research described at this website. You can visit my YouTube channel here! Have a look at the latest publications on the recent publications. Page The full publication list.