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A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods

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Peppone98/Multiscale_Recoverin

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Multiscale Methods project

The repository contains a short CG simulation of a Recoverin protein in aqueous environment.

Alt text Representation of the non-myristoylated Recoverin with its EF2 pocket highlighted in red.

Below, some of the main quantities obtained from the CG simulation.

Alt text Root Mean Square Fluctuation comparison between all-atom (AA) and coarse-grained (CG) systems.

Alt text Solvent accessible surface area (SASA) of the binding pocket EF2 for AA and CG systems.

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A coarse-grained analysis of the Recoverin protein for the exam of Multiscale Methods

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