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RSC Adv
November 2021
Physics Department, Sapienza University Piazzale Aldo Moro 5 00185 Roma Italy
The dynamics of two proteins of similar size, the globular lysozyme and the intrinsically disordered Huntingtin interacting protein, has been simulated in three states resembling a globule, a pre-molten globule, and a molten globule. A coherence time has been defined, measuring the delay in the display of a stochastic behaviour after a perturbation of the system. This time has been computed for two sets of collective variables: the projection of the phase point onto the positions and momenta subspaces ( and ), and the principal components (PCs) of positions and momenta produced by a covariance analysis in these subspaces ( and ).
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