Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field

Luís Borges-Araújo (1, 2) , Paulo Souza (2) , Fábio Fernandes (1) , Manuel Melo (1)

1 Universidade Nova de Lisboa Portugal
2 MMSB - Microbiologie moléculaire et biochimie structurale / Molecular Microbiology and Structural Biochemistry

Domaines: Chimie théorique et/ou physique; Modélisation et simulation; Biophysique

Luís Borges-Araújo, Paulo Souza, Fábio Fernandes, Manuel Melo. Improved Parameterization of Phosphatidylinositide Lipid Headgroups for the Martini 3 Coarse-Grain Force Field. Journal of Chemical Theory and Computation, 2022, 18 (1), pp.357-373. ⟨10.1021/acs.jctc.1c00615⟩. ⟨hal-03864628⟩