Two decades of Martini: Better beads, broader scope

SJ Marrink, L Monticelli, MN Melo… - Wiley …, 2023 - Wiley Online Library
The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by 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 …

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

TA Wassenaar, HI Ingólfsson… - Journal of chemical …, 2015 - ACS Publications
For simulations of membranes and membrane proteins, the generation of the lipid bilayer is
a critical step in the setup of the system. Membranes comprising multiple components pose …

CHARMM-GUI martini maker for coarse-grained simulations with the martini force field

Y Qi, HI Ingólfsson, X Cheng, J Lee… - Journal of chemical …, 2015 - ACS Publications
Coarse-grained simulations are widely used to study large biological systems. Nonetheless,
building such simulation systems becomes nontrivial, especially when membranes with …

Dry Martini, a coarse-grained force field for lipid membrane simulations with implicit solvent

C Arnarez, JJ Uusitalo, MF Masman… - Journal of chemical …, 2015 - ACS Publications
Coarse-grained (CG) models allow simulation of larger systems for longer times by
decreasing the number of degrees of freedom compared with all-atom models. Here we …

CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides

PC Hsu, BMH Bruininks, D Jefferies… - 2017 - Wiley Online Library
A complex cell envelope, composed of a mixture of lipid types including
lipopolysaccharides, protects bacteria from the external environment. Clearly, the proteins …

A sub-nanometre view of how membrane curvature and composition modulate lipid packing and protein recruitment

S Vanni, H Hirose, H Barelli, B Antonny… - Nature …, 2014 - nature.com
Two parameters of biological membranes, curvature and lipid composition, direct the
recruitment of many peripheral proteins to cellular organelles. Although these traits are often …

The molecular face of lipid rafts in model membranes

HJ Risselada, SJ Marrink - Proceedings of the National Academy of …, 2008 - pnas.org
Cell membranes contain a large number of different lipid species. Such a multicomponent
mixture exhibits a complex phase behavior with regions of structural and compositional …

Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments

PWJM Frederix, I Patmanidis, SJ Marrink - Chemical Society Reviews, 2018 - pubs.rsc.org
In bionanotechnology, the field of creating functional materials consisting of bio-inspired
molecules, the function and shape of a nanostructure only appear through the assembly of …

[HTML][HTML] Rational design of liposomal drug delivery systems, a review: Combined experimental and computational studies of lipid membranes, liposomes and their …

A Bunker, A Magarkar, T Viitala - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
Combined experimental and computational studies of lipid membranes and liposomes, with
the aim to attain mechanistic understanding, result in a synergy that makes possible the …