MD Simulation of intrinsically disordered protein?

17 January 2023 1 204 Report

Is it difficult to stabilize an intrinsically disordered protein by MD Simulation? What is the solution for this?

@Zhaoxi Sun, I have simulated my protein for more than 400 ns to generate energy-minimized structures. The protein is predicted to be intrinsically disordered. The protein has undergone violent fluctuations during this time period. The cluster with the least RMSD variation is above 5 Amstrong. Is this phenomenon most likely because of the disordered nature of the protein?

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