These caluclations have been developed by Zackary Finkel at the Prof. Meenakshi Dutt group (Rutgers University).

Akash Banerjee (Graduate student) has guided Zackary Finkel during the summer of 2018.

These codes have been used to find the hydrophobic thickness of a DPPC bilayer.

Problem statement - It is not easy to find the thickness of a flat dilayer as it has several locally deformed regions, having unique curvature values.

Solution - We have developed a method that meshes the bilayer with the help of a grid. This allows us to divide the top and bottom surface of the bilayer into smaller square-shaped domains. An average value for each of these domains is used to find the thickness of the bilayer.

The purpose of finding the exact hydrophobic thickness of the bilayer is to find the amount of hydrophobic mismatch with a KALP protein. Hydrophobic mismatch is defined as the difference between the hydrophobic section of a protein and the lipid bilayer. We have made folders for negative, zero and positive mismatch. Please have a look at the files in the corresponding folders.