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Crispr-Cas9 (Apo form)

  • The framgent memory force in this simulation was too big (0.2), I'm repeating the simulation with a smaller force (0.01). I expect that the energy of the local interactions (RAMA+HELIX+F.M.) should contribute around 2/3 of the energy of the non-local interactions (DSSP,PAP,WATER)

Protein RMSD

heatmap_Cas9Apo.gif

Crispr-Cas9 + DNA

Due to a mistake I didn't update the neighbor list, so it is possible to see an overlap between two domains (grey and red). The single memory force was turned off in this simulation.

Protein RMSD

heatmap_protein.gif

Nucleic RMSD

   

heatmap_nucleic.gif

Crispr-Cas9 + RNA

Due to a mistake I didn't update the neighbor list, so it is possible to see an overlap between two domains (grey and red). The single memory force was turned off in this simulation.

Protein RMSD

heatmap_RNA.gif

Nucleic RMSD

heatmap_RNA_nucleic.gif

 

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