Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Perspective on the Martini model

SJ Marrink, DP Tieleman - Chemical Society Reviews, 2013 - pubs.rsc.org
The Martini model, a coarse-grained force field for biomolecular simulations, has found a
broad range of applications since its release a decade ago. Based on a building block …

Improved parameters for the martini coarse-grained protein force field

DH De Jong, G Singh, WFD Bennett… - Journal of chemical …, 2013 - ACS Publications
The Martini coarse-grained force field has been successfully used for simulating a wide
range of (bio) molecular systems. Recent progress in our ability to test the model against …

The molecular structure of the liquid-ordered phase of lipid bilayers

AJ Sodt, ML Sandar, K Gawrisch… - Journal of the …, 2014 - ACS Publications
Molecular dynamics simulations reveal substructures within the liquid-ordered phase of lipid
bilayers. These substructures, identified in a 10 μs all-atom trajectory of liquid-ordered/liquid …

Cholesterol oxidation products and their biological importance

W Kulig, L Cwiklik, P Jurkiewicz, T Rog… - Chemistry and physics of …, 2016 - Elsevier
The main biological cause of oxysterols is the oxidation of cholesterol. They differ from
cholesterol by the presence of additional polar groups that are typically hydroxyl, keto …

Cholesterol, sphingolipids, and glycolipids: what do we know about their role in raft-like membranes?

T Róg, I Vattulainen - Chemistry and physics of lipids, 2014 - Elsevier
Lipids rafts are considered to be functional nanoscale membrane domains enriched in
cholesterol and sphingolipids, characteristic in particular of the external leaflet of cell …

Inter-Leaflet Interaction and Asymmetry in Phase Separated Lipid Bilayers: Molecular Dynamics Simulations

JD Perlmutter, JN Sachs - Biophysical Journal, 2011 - cell.com
Qaiser Waheed, Olle Edholm. Molecular dynamics simulations of atomistic models show the
ordering and condensing effect of the cholesterol on phospholipid bilayers. Such …

[图书][B] Liposomes, lipid bilayers and model membranes: from basic research to application

G Pabst, N Kučerka, MP Nieh, J Katsaras - 2014 - books.google.com
As a result of their unique physical properties, biological membrane mimetics, such as
liposomes, are used in a broad range of scientific and technological applications …

Cholesterol enhances influenza binding avidity by controlling nanoscale receptor clustering

IN Goronzy, RJ Rawle, SG Boxer, PM Kasson - Chemical science, 2018 - pubs.rsc.org
Influenza virus infects cells by binding to sialylated glycans on the cell surface. While the
chemical structure of these glycans determines hemagglutinin–glycan binding affinity …

[HTML][HTML] Molecular simulations of the effects of phospholipid and cholesterol peroxidation on lipid membrane properties

AJP Neto, RM Cordeiro - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Non-enzymatic lipid peroxidation may change biomembrane structure and function. Here,
we employed molecular dynamics simulations to study the effects of either phospholipid or …