The challenges of understanding glycolipid functions: An open outlook based on molecular simulations

M. Manna, T. Rog, I. Vattulainen

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

Resumé

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. (C) 2014 Elsevier B.V. All rights reserved.
OriginalsprogEngelsk
TidsskriftB B A - Molecular and Cell Biology of Lipids
Vol/bind1841
Udgave nummer8
Sider (fra-til)1130-1145
ISSN1388-1981
DOI
StatusUdgivet - 2014

Emneord

  • Molecular dynamics simulation Computer simulation Carbohydrate Lipid Glyco Glycosphingolipid ATOM FORCE-FIELD HUMAN PRION PROTEIN DYNAMICS SIMULATIONS LIPID-BILAYERS CHOLERA-TOXIN BIOMOLECULAR SIMULATIONS ELECTROSTATIC INTERACTIONS PHOSPHOLIPID-MEMBRANES BIOLOGICAL-MEMBRANES CONSTANT-PRESSURE

Citer dette

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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. (C) 2014 Elsevier B.V. All rights reserved.",
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The challenges of understanding glycolipid functions: An open outlook based on molecular simulations. / Manna, M.; Rog, T.; Vattulainen, I.

I: B B A - Molecular and Cell Biology of Lipids, Bind 1841, Nr. 8, 2014, s. 1130-1145.

Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

TY - JOUR

T1 - The challenges of understanding glycolipid functions: An open outlook based on molecular simulations

AU - Manna, M.

AU - Rog, T.

AU - Vattulainen, I.

PY - 2014

Y1 - 2014

N2 - 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. (C) 2014 Elsevier B.V. All rights reserved.

AB - 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. (C) 2014 Elsevier B.V. All rights reserved.

KW - Molecular dynamics simulation Computer simulation Carbohydrate Lipid Glyco Glycosphingolipid ATOM FORCE-FIELD HUMAN PRION PROTEIN DYNAMICS SIMULATIONS LIPID-BILAYERS CHOLERA-TOXIN BIOMOLECULAR SIMULATIONS ELECTROSTATIC INTERACTIONS PHOSPHOLIPID-MEMBRANES

U2 - 10.1016/j.bbalip.2013.12.016

DO - 10.1016/j.bbalip.2013.12.016

M3 - Journal article

VL - 1841

SP - 1130

EP - 1145

JO - B B A - Molecular and Cell Biology of Lipids

JF - B B A - Molecular and Cell Biology of Lipids

SN - 1388-1981

IS - 8

ER -