The objective of our research is to generate realistic and computationally effective models of cellular metabolism.
The objective of our research is to generate realistic and computationally effective models of cellular metabolism. By taking advantage of the versatile properties of enzyme systems that metabolize reactive, hydrophobic compounds we can utilize excellent control over processes that occur intracellularly. The experiments give precise information on localization and enzymatic conversion of probe molecules. A particularly challenging aspect is the modelling of the partition of hydrophobic compounds (important as hormones, signalling molecules and medical drugs). An integrated part of the project involves the generation of efficient, versatile and computationally tractable models of cellular reactions and diffusion (using fundamental/experimentally determined constants) which are verified against experimental data. A tool is developed in MATLAB/FEMLAB utilizing analytical and numerical homogenization techniques taking into account the complex architecture of the cell. Contributions towards an accurate computational model of the cell will be of great importance for basic science and drug development.
The project is carried out in cooperation with Professor Ralf Morgenstern, Karolinska Institutet.