title: The challenges of understanding glycolipid functions: An open outlook based on molecular simulations.
abstract: Glycolipids are the most complex lipid type in cell membranes, characterized by a great diversity of different structures and functions. The underlying atomistic/molecular interactions and mechanisms associated with these functions are not well understood. Here we discuss how atomistic and molecular simulations can be used to shed light on the role of glycolipids in membrane structure and dynamics, receptor function, and other phenomena related to emergence of diseases such as Parkinson's. The cases we discuss highlight the challenge to understand how glycolipids function in cell membranes, and the significant added value that one would gain by bridging molecular simulations with experiments. This article is part of a Special Issue entitled Tools to study lipid functions.
authors.affiliation: Department of Physics, Tampere University of Technology, POB 692, FI-33101 Tampere, Finland.
authors.forename: Moutusi
authors.initials: M
authors.lastname: Manna
authors.affiliation: Department of Physics, Tampere University of Technology, POB 692, FI-33101 Tampere, Finland.
authors.forename: Tomasz
authors.initials: T
authors.lastname: Róg
authors.affiliation: Department of Physics, Tampere University of Technology, POB 692, FI-33101 Tampere, Finland; MEMPHYS, Center for Biomembrane Physics, University of Southern Denmark, Odense, Denmark. Electronic address: Ilpo.Vattulainen@tut.fi.
authors.forename: Ilpo
authors.initials: I
authors.lastname: Vattulainen
mesh_terms: D006017:Glycolipids / Q000737:chemistry / Q000502:physiology*; D056004:Molecular Dynamics Simulation; D011506:Proteins / Q000737:chemistry; D055672:Static Electricity
chemical_list: D006017:Glycolipids; D011506:Proteins
keywords: Carbohydrate; Computer simulation; Glyco; Glycosphingolipid; Lipid; Molecular dynamics simulation