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Institute for Advanced Simulations (IAS)

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The Institute combines different computational approaches in a powerful strategy aimed at dissecting structural and energetic facets in cellular pathways related to human perception and molecular medicine.

The diversity of computational methods ranges from classical atomistic and coarse-grained force field to ab initio quantum mechanical and hybrid quantum mechanical/classical molecular dynamics complemented by structural bioinformatics methods, including, e.g., sequence alignment, protein structure alignment and prediction, drug discovery and molecular docking. 


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