Force distribution analysis (FDA)
30.10.2014
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-4.5.3.
Watch the video about a graphene sheet broken by an AFM tip here!
In a number of projects, FDA also helped to reveal the mechanism of allostery in proteins. More details are given here.
The FDA code can be downloaded from the FDA-GitHub repository website
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