Key Aspects When Modelling Amphiphiles with MARTINI

Explore key aspects of modeling amphiphiles using the MARTINI force field in this 43-minute virtual seminar presented by Dr. Germán Pérez-Sánchez from the University of Aveiro, Portugal. Delve into topics such as AA-to-CG modeling, Hamiltonian in MD, MARTINI 2.2, Coarse-Grain Modeling, phase behavior, and transferability. Examine examples, results, and the clouding phenomena while learning about ATOMS available CG MARTINI-based models. Gain insights into ATOMS MARTINI/CG-MD modeling perspectives and draw valuable conclusions for your research in molecular dynamics simulations.

Intro
AA-to-CG modelling
Hamiltonian in MD
MARTINI 2.2
Coarse-Grain Modelling
AA-to-CG validation
Phase behavior
Some examples
Transferability
ATOMS Available CG MARTINI-based models
Some results
clouding phenomena
ATOMS MARTINI/CG-MD modeling perspectives
Conclusions