Modeling & Simulation

The research activity addresses the application of modern modeling and simulation tools to biologic, biotechnological, pharmaceutical and medical issues. This field of research is rooted in physics, mathematics, chemistry, biology and life sciences. Considerable expertise in modeling and simulations in the range from material properties till to biochemical processes, proliferation, growth and differentiation of yeasts, bacteria and further to human or photosynthetic cells is available.
The expertise in biophysics, bioinformatics, molecular dynamics and high performance computing enables an holistic approach to quintessential problems in life science and biotechnology.
Current research themes include:

  • Cell proliferation, growth and differentiation;
  • Metabolic kinetics and oxygen consumption in tissues and living cells;
  • CO2 sequestration through microalgae and production of biofuels, nutraceuticals, pharmaceuticals, bioplastics, lubricants, etc;
  • Biophysics systems studies by means of large scale molecular dynamics, protein-protein docking, design and engineering of proteins;
  • Modeling and simulation at a molecular level of processes involved in medicine and biology, particularly muscle control, narcolepsy, inflammation and autoimmune diseases;
  • Innovative methods of Datamining, Machine Learning and Artificial Intelligence for chemistry, pharmacology and in large for life sciences, including i) automatic force field building for Molecular Dynamics and ii) unsupervised molecular properties prediction.


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