Tuesday 10/20/14

9:30 am -5:50 pm, 7:30 pm – 12:00 am

chromatin simulations

  • check simulation project

Odyssey results

  • Now black behaves properly but yellow and blue are giving issues
  • yellow not equilibrating?
  • not sure what’s going on with blue, will require further investigation. Possible that large domains are swallowing smaller ones and growing too fast.
  • also possible that large domains are just splitting into multi-rosettes and small domains stay as singles.

OdysseySimulate150K_BYKp3

New simulations

  • ‘WholeNucVOp5’ – 10% sticky blue, blue attraction 3.0 repulsion 3.0
  • ‘WholeNucVOp6’ – yellow back to no stiffness, run for 200 steps.
    • this does (as before) a good yellow black split.
  • New approach — successively add more sticky sites to BLUE. see if we get a better saturated state if it folds in steps.

Discussion with Xiaowei

  • XZ doesn’t like the yellow model as a faster equilibration to Eq. Globule from Fractal globule (due to energy or chain-crossing). Too much of a polymer explanation, not enough useful biology.
  • probably right, I think the modeling is actually rewarding and complex enough just with the blue.
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