Step 3

3D modeling and parametrization

This is the crucial step that needs our skills and expertise.

Subsequently to the conceptualization , we will design our simulations according to your experimental conditions (e.g. : temperature, pressure, environment). We will also carefully assure the robustness of our parametrizations (e.g., for the xenobiotics) to ensure the reliability of our results. In the case of lipid bilayers, for instance, we will check the known properties of the lipids of choice (e.g., area per lipid, thickness) to match your experimental conditions.

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