Cell functions can be understood as a complex and integrated network of intermolecular interactions. The flows of energy, matter and information within and among cells are mediated by diverse arrays of proteins, nucleic acids, glycans, lipids, glycoproteins and glycolipids. Among these arrays one can find the ribosome, the Golgi apparatus, the preoteasome, the cell membrane, etc. A key aspect to achieve a detailed knowledge of molecular mechanisms and processes is the accurate determination of 3D structures of biomolecules. Therefore, our research group studies structural and dynamical properties of biomolecules and develops computational methods for the determination, validation and refinement of biomolecule structures, based on experimental data. The used tools include: quantum mechanical calculations, statistical mechanics, molecular dynamics and/or molecular mechanics simulations, and statistical data analysis.

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