CRC 1114 - Report Membrane Deformation by N-BAR Proteins: Extraction of membrane geometry and protein diffusion characteristics from MD simulations

2017/12/07 by Peters, Jan Henning, Gräser, Carsten, Klein, Rupert
#Biological Physics (physics.bio-ph) #FOS: Physical sciences

paper · doi:10.48550/arxiv.1712.02666

Abstract

We describe simulations of Proteins and artificial pseudo-molecules interacting and shaping lipid bilayer membranes. We extract protein diffusion Parameters, membrane deformation profiles and the elastic properties of the used membrane models in preparation of calculations based on a large scale continuum model.

Related

• Protein-lipid domains in heterogeneous membranes beyond spontaneous curvature effects
• flippy: User friendly and open source framework for lipid membrane simulations
• Curvature-driven feedback on aggregation-diffusion of proteins in lipid\n bilayers
• Impact of Lipid Structural Variations on Bilayer Properties: A Coarse-Grained Molecular Dynamics Study
• SMARTINI3: Systematic Parametrization of Realistic Multi-Scale Membrane Models via Unsupervised Learning and Multi-Objective Evolutionary Algorithms