Integrating experiments and simulations to unravel condensate-membrane Interactions: Insights into de-mixing and morphology modulation

This repository contains molecular dynamics (MD) simulation trajectories, input scripts, and parameter files for two kinds of coarse-grained simulation performed to study condensate-membrane interaction: (A) an implicit solvent coarse-grained model popularly known as Cooke three-bead lipid model, and (B) explicit solvent MARTINI-3 model. The condensate is made of poly-Lysine (K10) and poly-Aspartate (D10) peptides. The membranes are made of DOPC and DOPS lipids. Along with the simulation files, we provide the raw data files for microscopy experiments of K10-D10 condensates in contact with Giant Unilamellar Vesicles (GUVs).