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Centre for Molecular Modelling


Group activities are directed towards the understanding of fundamental problems in core and applied sciences. We look for concepts which on the one hand lead to the understanding of a variety of facts in a unified way, and on the other hand, enable us to make predictions of new facts or trends which can be tested by experimentalists.

A constant attempt is made by us to find common threads between problems in one area to another. This is being pursued by wide range of computational methodologies spanning over application of simulations to bio-organic, enzymatic reactions, and development of therapeutic agents targeting infectious & inflammatory diseases and novel materials.

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