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 …

[HTML][HTML] Lipids on the move: simulations of membrane pores, domains, stalks and curves

SJ Marrink, AH De Vries, DP Tieleman - Biochimica et Biophysica Acta …, 2009 - Elsevier
In this review we describe the state-of-the-art of computer simulations studies of lipid
membranes. We focus on collective lipid–lipid and lipid–protein interactions that trigger …

Multiscale modeling of emergent materials: biological and soft matter

T Murtola, A Bunker, I Vattulainen, M Deserno… - Physical Chemistry …, 2009 - pubs.rsc.org
In this review, we focus on four current related issues in multiscale modeling of soft and
biological matter. First, we discuss how to use structural information from detailed models (or …

Lipid gymnastics: evidence of complete acyl chain reversal in oxidized phospholipids from molecular simulations

H Khandelia, OG Mouritsen - Biophysical journal, 2009 - cell.com
In oxidative environments, biomembranes contain oxidized lipids with short, polar acyl
chains. Two stable lipid oxidation products are PoxnoPC and PazePC. PoxnoPC has a …

Small and bright water-protected upconversion nanoparticles with long-time stability in complex, aqueous media by phospholipid membrane coating

S Märkl, A Schroter, T Hirsch - Nano Letters, 2020 - ACS Publications
Chemical and colloidal stability in complex aqueous media are among the main challenges
preventing nanoparticles from successfully entering into the biomedical field. Small core …

[HTML][HTML] Molecular dynamics simulation of phase transitions in model lung surfactant monolayers

SL Duncan, IS Dalal, RG Larson - Biochimica et Biophysica Acta (BBA) …, 2011 - Elsevier
To explore the role of individual lung surfactant components in liquid-condensed (LC)/liquid-
expanded (LE) phase transitions the MARTINI coarse-grained (CG) model is used to …

Coarse-grained modeling of lipids

SV Bennun, MI Hoopes, C Xing, R Faller - Chemistry and physics of lipids, 2009 - Elsevier
Molecular modeling of phospholipids on many scales has progressed significantly over the
last years. Here we review several membrane models on intermediate to large length scales …

Soft nanoparticles (thermo-responsive nanogels and bicelles) with biotechnological applications: from synthesis to simulation through colloidal characterization

J Ramos, A Imaz, J Callejas-Fernández… - Soft Matter, 2011 - pubs.rsc.org
The use of nanotechnology in biotechnological applications has attracted tremendous
attention from researchers. Currently many nanomaterials, such as soft nanoparticles, are …

Model cell membranes: Discerning lipid and protein contributions in shaping the cell

TG Pomorski, T Nylander, M Cárdenas - Advances in colloid and interface …, 2014 - Elsevier
The high complexity of biological membranes has motivated the development and
application of a wide range of model membrane systems to study biochemical and …

[PDF][PDF] Intramitochondrial crystalline inclusions in nonalcoholic steatohepatitis

SH Caldwell, LAR de Freitas, SH Park… - …, 2009 - Wiley Online Library
Mitochondrial dysfunction is an important element in the pathogenesis of nonalcoholic
steatohepatitis (NASH). Intramitochondrial crystals (IMCs) are a well‐documented …