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

Key Aspects When Modelling Amphiphiles with MARTINI

ATOMS UFRJ
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