Computational modeling of realistic cell membranes
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 …
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 …
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 …
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 …
bilayers. These substructures, identified in a 10 μs all-atom trajectory of liquid-ordered/liquid …
Cholesterol oxidation products and their biological importance
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 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 …
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 …
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
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 …
liposomes, are used in a broad range of scientific and technological applications …
Cholesterol enhances influenza binding avidity by controlling nanoscale receptor clustering
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 …
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 …
we employed molecular dynamics simulations to study the effects of either phospholipid or …