Key Aspects When Modelling Amphiphiles with MARTINI

Key Aspects When Modelling Amphiphiles with MARTINI

ATOMS UFRJ via YouTube Direct link

Hamiltonian in MD

3 of 14

3 of 14

Hamiltonian in MD

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Key Aspects When Modelling Amphiphiles with MARTINI

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  1. 1 Intro
  2. 2 AA-to-CG modelling
  3. 3 Hamiltonian in MD
  4. 4 MARTINI 2.2
  5. 5 Coarse-Grain Modelling
  6. 6 AA-to-CG validation
  7. 7 Phase behavior
  8. 8 Some examples
  9. 9 Transferability
  10. 10 ATOMS Available CG MARTINI-based models
  11. 11 Some results
  12. 12 clouding phenomena
  13. 13 ATOMS MARTINI/CG-MD modeling perspectives
  14. 14 Conclusions

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