Force distribution analysis (FDA)
30.01.2020
Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element Analysis used to engineer macroscopic structures. The method is based on Molecuylar Dynamics simulations during which we directly calculate forces between each atom pair in a system. The most recent version of FDA is now implemented in GROMACS-2020.
Recent applications of FDA from our group include the stress concentration in collagen and the allosteric effect of disulfide bonding in von Willebrand factor.
The FDA code can be downloaded from the FDA-GitHub repository.